3-[[4-(4-methylphenyl)carbonyl-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(4-methylphenyl)carbonyl-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[(4-methylphenyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 3-[[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 3-[(4-p-toluoyl-1,4-diazepan-1-yl)methyl]benzonitrile Formula: C21H23N3O MolecularWeight: 333.42682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H23N3O/c1-17-6-8-20(9-7-17)21(25)24-11-3-10-23(12-13-24)16-19-5-2-4-18(14-19)15-22/h2,4-9,14H,3,10-13,16H2,1H3