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

Systemtic Name: 4-[7-(cyclopropylmethylamino)-2-oxidanylidene-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridine-2-carbonitrile Openeye Name: 4-[7-(cyclopropylmethylamino)-2-oxo-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridine-2-carbonitrile CAS Name: 4-[7-(cyclopropylmethylamino)-2-oxo-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]-2-pyridinecarbonitrile IUPAC Name: 4-[7-(cyclopropylmethylamino)-2-oxo-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridine-2-carbonitrile Traditional Name: 4-[7-(cyclopropylmethylamino)-2-keto-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]picolinonitrile Formula: C20H16F3N5O MolecularWeight: 399.36915

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CNC2=CC3=C(C=C2C(F)(F)F)NC(=O)CC(=N3)C4=CC(=NC=C4)C#N

Isomeric SMILES

C1CC1CNC2=CC3=C(C=C2C(F)(F)F)NC(=O)CC(=N3)C4=CC(=NC=C4)C#N

InChI

InChI=1S/C20H16F3N5O/c21-20(22,23)14-6-17-18(7-16(14)26-10-11-1-2-11)27-15(8-19(29)28-17)12-3-4-25-13(5-12)9-24/h3-7,11,26H,1-2,8,10H2,(H,28,29)