1-[(3-methyl-2-oxidanyl-butanoyl)amino]-N-[1-methyl-2-oxidanylidene-5-[4-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepin-3-yl]cyclopentane-1-carboxamide

Systemtic Name: 1-[(3-methyl-2-oxidanyl-butanoyl)amino]-N-[1-methyl-2-oxidanylidene-5-[4-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepin-3-yl]cyclopentane-1-carboxamide Openeye Name: 1-[(2-hydroxy-3-methyl-butanoyl)amino]-N-[1-methyl-2-oxo-5-[4-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepin-3-yl]cyclopentanecarboxamide CAS Name: 1-[(2-hydroxy-3-methyl-1-oxobutyl)amino]-N-[1-methyl-2-oxo-5-[4-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepin-3-yl]-1-cyclopentanecarboxamide IUPAC Name: 1-[(2-hydroxy-3-methylbutanoyl)amino]-N-[1-methyl-2-oxo-5-[4-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepin-3-yl]cyclopentane-1-carboxamide Traditional Name: 1-[(2-hydroxy-3-methyl-butanoyl)amino]-N-[2-keto-1-methyl-5-[4-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepin-3-yl]cyclopentanecarboxamide Formula: C28H31F3N4O4 MolecularWeight: 544.56535

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1(CCCC1)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)C(F)(F)F)C)O

Isomeric SMILES

CC(C)C(C(=O)NC1(CCCC1)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)C(F)(F)F)C)O

InChI

InChI=1S/C28H31F3N4O4/c1-16(2)22(36)24(37)34-27(14-6-7-15-27)26(39)33-23-25(38)35(3)20-9-5-4-8-19(20)21(32-23)17-10-12-18(13-11-17)28(29,30)31/h4-5,8-13,16,22-23,36H,6-7,14-15H2,1-3H3,(H,33,39)(H,34,37)