3-[[4-(2-chlorophenyl)carbonyl-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(2-chlorophenyl)carbonyl-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[(2-chlorophenyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 3-[[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C20H20ClN3O MolecularWeight: 353.8453

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=CC=C2Cl)CC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=CC=C2Cl)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H20ClN3O/c21-19-8-2-1-7-18(19)20(25)24-10-4-9-23(11-12-24)15-17-6-3-5-16(13-17)14-22/h1-3,5-8,13H,4,9-12,15H2