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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=CC(=C3)C#N

InChI

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