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

Systemtic Name: 2-(3-butan-2-yl-7-chloranyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethanoic acid Openeye Name: 2-(7-chloro-2-oxo-5-phenyl-3-sec-butyl-3H-1,4-benzodiazepin-1-yl)acetic acid CAS Name: 2-(3-butan-2-yl-7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetic acid IUPAC Name: 2-(3-butan-2-yl-7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetic acid Traditional Name: 2-(7-chloro-2-keto-5-phenyl-3-sec-butyl-3H-1,4-benzodiazepin-1-yl)acetic acid Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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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)