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

Systemtic Name: N-butan-2-yl-2-(7-chloranyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethanamide Openeye Name: 2-(7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-(7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide IUPAC Name: N-butan-2-yl-2-(7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide Traditional Name: 2-(7-chloro-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-sec-butyl-acetamide Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CCC(C)NC(=O)CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H22ClN3O2/c1-3-14(2)24-19(26)13-25-18-10-9-16(22)11-17(18)21(23-12-20(25)27)15-7-5-4-6-8-15/h4-11,14H,3,12-13H2,1-2H3,(H,24,26)