7-chloranyl-1-(3,3-dimethyl-2-oxidanylidene-butyl)-3-oxidanyl-5-phenyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 7-chloranyl-1-(3,3-dimethyl-2-oxidanylidene-butyl)-3-oxidanyl-5-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-1-(3,3-dimethyl-2-oxo-butyl)-3-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one CAS Name: 7-chloro-1-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 7-chloro-1-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-3-hydroxy-1-(2-keto-3,3-dimethyl-butyl)-5-phenyl-3H-1,4-benzodiazepin-2-one Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H21ClN2O3/c1-21(2,3)17(25)12-24-16-10-9-14(22)11-15(16)18(23-19(26)20(24)27)13-7-5-4-6-8-13/h4-11,19,26H,12H2,1-3H3