(3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 2-(4-chlorophenyl)carbonylbenzoate

Systemtic Name: (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 2-(4-chlorophenyl)carbonylbenzoate Openeye Name: (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 2-(4-chlorobenzoyl)benzoate CAS Name: 2-[(4-chlorophenyl)-oxomethyl]benzoic acid (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) ester IUPAC Name: (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 2-(4-chlorobenzoyl)benzoate Traditional Name: 2-(4-chlorobenzoyl)benzoic acid (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) ester Formula: C20H19ClN2O3 MolecularWeight: 370.82946

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NOC(=O)C2=CC=CC=C2C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCC(=NCC1)NOC(=O)C2=CC=CC=C2C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H19ClN2O3/c21-15-11-9-14(10-12-15)19(24)16-6-3-4-7-17(16)20(25)26-23-18-8-2-1-5-13-22-18/h3-4,6-7,9-12H,1-2,5,8,13H2,(H,22,23)