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

Systemtic Name: 2-[7-oxidanylidene-4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl N-(4-chlorophenyl)carbamate Openeye Name: 2-(4-benzyl-7-oxo-1,4-diazepan-1-yl)ethyl N-(4-chlorophenyl)carbamate CAS Name: N-(4-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-(4-chlorophenyl)carbamate Traditional Name: N-(4-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=C(C=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

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