2-[7-oxidanylidene-4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl N-(3-chlorophenyl)carbamate

Systemtic Name: 2-[7-oxidanylidene-4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl N-(3-chlorophenyl)carbamate Openeye Name: 2-(4-benzyl-7-oxo-1,4-diazepan-1-yl)ethyl N-(3-chlorophenyl)carbamate CAS Name: N-(3-chlorophenyl)carbamic acid 2-[7-oxo-4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl ester IUPAC Name: 2-(4-benzyl-7-oxo-1,4-diazepan-1-yl)ethyl N-(3-chlorophenyl)carbamate Traditional Name: N-(3-chlorophenyl)carbamic acid 2-(4-benzyl-7-keto-1,4-diazepan-1-yl)ethyl ester Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)CCOC(=O)NC2=CC(=CC=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1=O)CCOC(=O)NC2=CC(=CC=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C21H24ClN3O3/c22-18-7-4-8-19(15-18)23-21(27)28-14-13-25-12-11-24(10-9-20(25)26)16-17-5-2-1-3-6-17/h1-8,15H,9-14,16H2,(H,23,27)