methyl 4-(7-chloranyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)butanoate

Systemtic Name: methyl 4-(7-chloranyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)butanoate Openeye Name: methyl 4-(7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)butanoate CAS Name: 4-(7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)butanoic acid methyl ester IUPAC Name: methyl 4-(7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)butanoate Traditional Name: 4-(7-chloro-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl)butyric acid methyl ester Formula: C20H19ClN2O3 MolecularWeight: 370.82946

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H19ClN2O3/c1-26-19(25)8-5-11-23-17-10-9-15(21)12-16(17)20(22-13-18(23)24)14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3