(4-tert-butylphenyl)-[4-[4-nitro-3-(3-pyridinylmethylamino)phenyl]-1-piperazinyl]methanone

Properties Image MNX_ID MNXM172493 reference chebi:94160 formula C27H31N5O3 global charge 0 mol weight 473.577 InChIKey YTXIGRAWLJNIIJ-UHFFFAOYSA-N InChI InChI=1S/C27H31N5O3/c1-27(2,3)22-8-6-21(7-9-22)26(33)31-15-13-30(14-16-31)23-10-11-25(32(34)35)24(17-23)29-19-20-5-4-12-28-18-20/h4-12,17-18,29H,13-16,19H2,1-3H3 SMILES CC(C)(C)C1=CC=C(C(=O)N2CCN(C3=CC(NCC4=CN=CC=C4)=C([N+](=O)[O-])C=C3)CC2)C=C1 MNX internals InChI (mnx) InChI=1/C27H31N5O3/c1-27(2,3)22-8-6-21(7-9-22)26(33)31-15-13-30(14-16-31)23-10-11-25(32(34)35)24(17-23)29-19-20-5-4-12-28-18-20/h4-12,17-18,29H,13-16,19H2,1-3H3 SMILES (mnx) [CH3:1][C:27]([CH3:2])([CH3:3])[C:22]1=[CH:9][CH:7]=[C:21]([C:26]([N:31]2[CH2:15][CH2:13][N:30]([C:23]3=[CH:17][C:24]([NH:29][CH2:19][C:20]4=[CH:18][N:28]=[CH:12][CH:4]=[CH:5]4)=[C:25]([N+:32]([O-:34])=[O:35])[CH:11]=[CH:10]3)[CH2:14][CH2:16]2)=[O:33])[CH:6]=[CH:8]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0