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

Systemtic Name: [7-chloranyl-5-(2-chlorophenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl] 4-acetamidobutanoate Openeye Name: [7-chloro-5-(2-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl] 4-acetamidobutanoate CAS Name: 4-acetamidobutanoic acid [7-chloro-5-(2-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl] ester IUPAC Name: [7-chloro-5-(2-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl] 4-acetamidobutanoate Traditional Name: 4-acetamidobutyric acid [7-chloro-5-(2-chlorophenyl)-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl] ester Formula: C22H21Cl2N3O4 MolecularWeight: 462.32584

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC(=O)OC1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3Cl)C

Isomeric SMILES

CC(=O)NCCCC(=O)OC1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3Cl)C

InChI

InChI=1S/C22H21Cl2N3O4/c1-13(28)25-11-5-8-19(29)31-21-22(30)27(2)18-10-9-14(23)12-16(18)20(26-21)15-6-3-4-7-17(15)24/h3-4,6-7,9-10,12,21H,5,8,11H2,1-2H3,(H,25,28)