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

Systemtic Name: 2-(3-butan-2-yl-7-chloranyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethanoate Openeye Name: 2-(7-chloro-2-oxo-5-phenyl-3-sec-butyl-3H-1,4-benzodiazepin-1-yl)acetate CAS Name: 2-(3-butan-2-yl-7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetate IUPAC Name: 2-(3-butan-2-yl-7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetate Traditional Name: 2-(7-chloro-2-keto-5-phenyl-3-sec-butyl-3H-1,4-benzodiazepin-1-yl)acetate Formula: C21H20ClN2O3- MolecularWeight: 383.8481

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CC(=O)[O-]

Isomeric SMILES

CCC(C)C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CC(=O)[O-]

InChI

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