4-[3-(6-cyclopropylpyridin-3-yl)phenyl]-7-propyl-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one

Systemtic Name: 4-[3-(6-cyclopropylpyridin-3-yl)phenyl]-7-propyl-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 4-[3-(6-cyclopropyl-3-pyridyl)phenyl]-7-propyl-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 4-[3-(6-cyclopropyl-3-pyridinyl)phenyl]-7-propyl-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 4-[3-(6-cyclopropylpyridin-3-yl)phenyl]-7-propyl-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 4-[3-(6-cyclopropyl-3-pyridyl)phenyl]-7-propyl-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C27H24F3N3O MolecularWeight: 463.49417

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1C(F)(F)F)NC(=O)CC(=N2)C3=CC=CC(=C3)C4=CN=C(C=C4)C5CC5

Isomeric SMILES

CCCC1=CC2=C(C=C1C(F)(F)F)NC(=O)CC(=N2)C3=CC=CC(=C3)C4=CN=C(C=C4)C5CC5

InChI

InChI=1S/C27H24F3N3O/c1-2-4-18-12-24-25(13-21(18)27(28,29)30)33-26(34)14-23(32-24)19-6-3-5-17(11-19)20-9-10-22(31-15-20)16-7-8-16/h3,5-6,9-13,15-16H,2,4,7-8,14H2,1H3,(H,33,34)