[1-(4-chlorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 4-pyrrol-1-ylbenzoate

Systemtic Name: [1-(4-chlorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 4-pyrrol-1-ylbenzoate Openeye Name: [1-(4-chlorobenzoyl)-2-oxo-azepan-3-yl] 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid [1-[(4-chlorophenyl)-oxomethyl]-2-oxo-3-azepanyl] ester IUPAC Name: [1-(4-chlorobenzoyl)-2-oxoazepan-3-yl] 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid [1-(4-chlorobenzoyl)-2-keto-azepan-3-yl] ester Formula: C24H21ClN2O4 MolecularWeight: 436.88754

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)OC(=O)C2=CC=C(C=C2)N3C=CC=C3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C(=O)C(C1)OC(=O)C2=CC=C(C=C2)N3C=CC=C3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H21ClN2O4/c25-19-10-6-17(7-11-19)22(28)27-16-2-1-5-21(23(27)29)31-24(30)18-8-12-20(13-9-18)26-14-3-4-15-26/h3-4,6-15,21H,1-2,5,16H2