4-[7-(azetidin-1-yl)-2-oxidanylidene-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridine-2-carbonitrile

Systemtic Name: 4-[7-(azetidin-1-yl)-2-oxidanylidene-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridine-2-carbonitrile Openeye Name: 4-[7-(azetidin-1-yl)-2-oxo-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridine-2-carbonitrile CAS Name: 4-[7-(1-azetidinyl)-2-oxo-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]-2-pyridinecarbonitrile IUPAC Name: 4-[7-(azetidin-1-yl)-2-oxo-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridine-2-carbonitrile Traditional Name: 4-[7-(azetidin-1-yl)-2-keto-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]picolinonitrile Formula: C19H14F3N5O MolecularWeight: 385.34257

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1)C2=CC3=C(C=C2C(F)(F)F)NC(=O)CC(=N3)C4=CC(=NC=C4)C#N

Isomeric SMILES

C1CN(C1)C2=CC3=C(C=C2C(F)(F)F)NC(=O)CC(=N3)C4=CC(=NC=C4)C#N

InChI

InChI=1S/C19H14F3N5O/c20-19(21,22)13-7-15-16(8-17(13)27-4-1-5-27)25-14(9-18(28)26-15)11-2-3-24-12(6-11)10-23/h2-3,6-8H,1,4-5,9H2,(H,26,28)