N-(3-chlorophenyl)-4-[(4-cyanophenyl)methyl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(3-chlorophenyl)-4-[(4-cyanophenyl)methyl]-1,4-diazepane-1-carboxamide Openeye Name: N-(3-chlorophenyl)-4-[(4-cyanophenyl)methyl]-1,4-diazepane-1-carboxamide CAS Name: N-(3-chlorophenyl)-4-[(4-cyanophenyl)methyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(3-chlorophenyl)-4-[(4-cyanophenyl)methyl]-1,4-diazepane-1-carboxamide Traditional Name: N-(3-chlorophenyl)-4-(4-cyanobenzyl)-1,4-diazepane-1-carboxamide Formula: C20H21ClN4O MolecularWeight: 368.85994

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC(=CC=C2)Cl)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC(=CC=C2)Cl)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H21ClN4O/c21-18-3-1-4-19(13-18)23-20(26)25-10-2-9-24(11-12-25)15-17-7-5-16(14-22)6-8-17/h1,3-8,13H,2,9-12,15H2,(H,23,26)