N-[1-(2-azanyl-2-oxidanylidene-ethyl)-2-oxidanylidene-5-pyridin-4-yl-3H-1,4-benzodiazepin-3-yl]-3-[3-fluoranyl-4-(trifluoromethyl)phenyl]-2-methyl-propanamide

Systemtic Name: N-[1-(2-azanyl-2-oxidanylidene-ethyl)-2-oxidanylidene-5-pyridin-4-yl-3H-1,4-benzodiazepin-3-yl]-3-[3-fluoranyl-4-(trifluoromethyl)phenyl]-2-methyl-propanamide Openeye Name: N-[1-(2-amino-2-oxo-ethyl)-2-oxo-5-(4-pyridyl)-3H-1,4-benzodiazepin-3-yl]-3-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-propanamide CAS Name: N-[1-(2-amino-2-oxoethyl)-2-oxo-5-pyridin-4-yl-3H-1,4-benzodiazepin-3-yl]-3-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropanamide IUPAC Name: N-[1-(2-amino-2-oxoethyl)-2-oxo-5-pyridin-4-yl-3H-1,4-benzodiazepin-3-yl]-3-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropanamide Traditional Name: N-[1-(2-amino-2-keto-ethyl)-2-keto-5-(4-pyridyl)-3H-1,4-benzodiazepin-3-yl]-3-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-propionamide Formula: C27H23F4N5O3 MolecularWeight: 541.496833

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)C(F)(F)F)F)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=NC=C4)CC(=O)N

Isomeric SMILES

CC(CC1=CC(=C(C=C1)C(F)(F)F)F)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=NC=C4)CC(=O)N

InChI

InChI=1S/C27H23F4N5O3/c1-15(12-16-6-7-19(20(28)13-16)27(29,30)31)25(38)35-24-26(39)36(14-22(32)37)21-5-3-2-4-18(21)23(34-24)17-8-10-33-11-9-17/h2-11,13,15,24H,12,14H2,1H3,(H2,32,37)(H,35,38)