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LSM-27108

PropertiesImage
MNX_IDMNXM529315 Image of MNXM529315
referencechebi:115651
formulaC22H17NO
global charge0
mol weight311.384
InChIKeyXVUVVFWKJOVPBV-UHFFFAOYSA-N
InChIInChI=1S/C22H17NO/c24-16-7-3-6-15(13-16)22-19-10-4-9-18(19)21-17-8-2-1-5-14(17)11-12-20(21)23-22/h1-3,5-8,11-13,24H,4,9-10H2
SMILESOC1=CC=CC(C2=C3CCCC3=C3C4=CC=CC=C4C=CC3=N2)=C1
MNX internals
InChI (mnx)InChI=1/C22H17NO/c24-16-7-3-6-15(13-16)22-19-10-4-9-18(19)21-17-8-2-1-5-14(17)11-12-20(21)23-22/h1-3,5-8,11-13,24H,4,9-10H2 Image of MNXM529315
SMILES (mnx)[CH:1]1=[CH:2][CH:8]=[C:17]2[C:14](=[CH:5]1)[CH:11]=[CH:12][C:20]1=[N:23][C:22]([C:15]3=[CH:13][C:16]([OH:24])=[CH:7][CH:3]=[CH:6]3)=[C:19]3[CH2:10][CH2:4][CH2:9][C:18]3=[C:21]21
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:115651
chebi:115651
XVUVVFWKJOVPBV-UHFFFAOYSA-N
LSM-27108