4-[3-(2-methylpyridin-4-yl)phenyl]-7-propyl-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one

Systemtic Name: 4-[3-(2-methylpyridin-4-yl)phenyl]-7-propyl-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 4-[3-(2-methyl-4-pyridyl)phenyl]-7-propyl-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 4-[3-(2-methyl-4-pyridinyl)phenyl]-7-propyl-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 4-[3-(2-methylpyridin-4-yl)phenyl]-7-propyl-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 4-[3-(2-methyl-4-pyridyl)phenyl]-7-propyl-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C25H22F3N3O MolecularWeight: 437.45689

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1C(F)(F)F)NC(=O)CC(=N2)C3=CC=CC(=C3)C4=CC(=NC=C4)C

Isomeric SMILES

CCCC1=CC2=C(C=C1C(F)(F)F)NC(=O)CC(=N2)C3=CC=CC(=C3)C4=CC(=NC=C4)C

InChI

InChI=1S/C25H22F3N3O/c1-3-5-18-12-22-23(13-20(18)25(26,27)28)31-24(32)14-21(30-22)19-7-4-6-16(11-19)17-8-9-29-15(2)10-17/h4,6-13H,3,5,14H2,1-2H3,(H,31,32)