methyl 2-[7-chloranyl-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]-5-oxidanylidene-pyrrolidine-2-carboxylate

Systemtic Name: methyl 2-[7-chloranyl-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]-5-oxidanylidene-pyrrolidine-2-carboxylate Openeye Name: methyl 2-[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]-5-oxo-pyrrolidine-2-carboxylate CAS Name: 2-[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]-5-oxo-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 2-[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]-5-oxopyrrolidine-2-carboxylate Traditional Name: 2-[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]-5-keto-pyrrolidine-2-carboxylic acid methyl ester Formula: C21H17Cl2N3O3 MolecularWeight: 430.28398

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCC(=O)N1)C2=NC3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4Cl

Isomeric SMILES

COC(=O)C1(CCC(=O)N1)C2=NC3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H17Cl2N3O3/c1-29-20(28)21(9-8-18(27)26-21)17-11-24-19(13-4-2-3-5-15(13)23)14-10-12(22)6-7-16(14)25-17/h2-7,10H,8-9,11H2,1H3,(H,26,27)