4-(3-pyridin-3-ylphenyl)-7,8-bis(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one

Systemtic Name: 4-(3-pyridin-3-ylphenyl)-7,8-bis(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 4-[3-(3-pyridyl)phenyl]-7,8-bis(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 4-[3-(3-pyridinyl)phenyl]-7,8-bis(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 4-(3-pyridin-3-ylphenyl)-7,8-bis(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 4-[3-(3-pyridyl)phenyl]-7,8-bis(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C22H13F6N3O MolecularWeight: 449.348539

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C(=C2)C(F)(F)F)C(F)(F)F)NC1=O)C3=CC=CC(=C3)C4=CN=CC=C4

Isomeric SMILES

C1C(=NC2=C(C=C(C(=C2)C(F)(F)F)C(F)(F)F)NC1=O)C3=CC=CC(=C3)C4=CN=CC=C4

InChI

InChI=1S/C22H13F6N3O/c23-21(24,25)15-8-18-19(9-16(15)22(26,27)28)31-20(32)10-17(30-18)13-4-1-3-12(7-13)14-5-2-6-29-11-14/h1-9,11H,10H2,(H,31,32)