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

Systemtic Name: 4-[3-(6-cyclopropylpyridin-3-yl)phenyl]-7-propoxy-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 4-[3-(6-cyclopropyl-3-pyridyl)phenyl]-7-propoxy-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 4-[3-(6-cyclopropyl-3-pyridinyl)phenyl]-7-propoxy-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 4-[3-(6-cyclopropylpyridin-3-yl)phenyl]-7-propoxy-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 4-[3-(6-cyclopropyl-3-pyridyl)phenyl]-7-propoxy-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C27H24F3N3O2 MolecularWeight: 479.49357

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1C(F)(F)F)NC(=O)CC(=N2)C3=CC=CC(=C3)C4=CN=C(C=C4)C5CC5

Isomeric SMILES

CCCOC1=CC2=C(C=C1C(F)(F)F)NC(=O)CC(=N2)C3=CC=CC(=C3)C4=CN=C(C=C4)C5CC5

InChI

InChI=1S/C27H24F3N3O2/c1-2-10-35-25-13-24-23(12-20(25)27(28,29)30)33-26(34)14-22(32-24)18-5-3-4-17(11-18)19-8-9-21(31-15-19)16-6-7-16/h3-5,8-9,11-13,15-16H,2,6-7,10,14H2,1H3,(H,33,34)