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

Systemtic Name: 8-chloranyl-4-(3-pyridin-4-ylphenyl)-7-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 8-chloro-4-[3-(4-pyridyl)phenyl]-7-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 8-chloro-4-(3-pyridin-4-ylphenyl)-7-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 8-chloro-4-(3-pyridin-4-ylphenyl)-7-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 8-chloro-4-[3-(4-pyridyl)phenyl]-7-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C21H13ClF3N3O MolecularWeight: 415.79563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13ClF3N3O/c22-16-10-19-18(9-15(16)21(23,24)25)27-17(11-20(29)28-19)14-3-1-2-13(8-14)12-4-6-26-7-5-12/h1-10H,11H2,(H,28,29)