4-[[4-[(2,3-dimethyl-1H-indol-5-yl)carbonyl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(2,3-dimethyl-1H-indol-5-yl)carbonyl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2,3-dimethyl-1H-indole-5-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(2,3-dimethyl-1H-indol-5-yl)-oxomethyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-(2,3-dimethyl-1H-indole-5-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2,3-dimethyl-1H-indole-5-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C24H26N4O MolecularWeight: 386.48944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)C(=O)N3CCCN(CC3)CC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)C(=O)N3CCCN(CC3)CC4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C24H26N4O/c1-17-18(2)26-23-9-8-21(14-22(17)23)24(29)28-11-3-10-27(12-13-28)16-20-6-4-19(15-25)5-7-20/h4-9,14,26H,3,10-13,16H2,1-2H3