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

Systemtic Name: ethyl 4-(7-chloranyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)butanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O3/c1-2-27-20(26)9-6-12-24-18-11-10-16(22)13-17(18)21(23-14-19(24)25)15-7-4-3-5-8-15/h3-5,7-8,10-11,13H,2,6,9,12,14H2,1H3