3-methyl-4-oxidanylidene-N-[6-(piperazin-1-ylmethyl)pyridin-2-yl]-2-[3-(trifluoromethyl)phenyl]quinazoline-8-carboxamide

Systemtic Name: 3-methyl-4-oxidanylidene-N-[6-(piperazin-1-ylmethyl)pyridin-2-yl]-2-[3-(trifluoromethyl)phenyl]quinazoline-8-carboxamide Openeye Name: 3-methyl-4-oxo-N-[6-(piperazin-1-ylmethyl)-2-pyridyl]-2-[3-(trifluoromethyl)phenyl]quinazoline-8-carboxamide CAS Name: 3-methyl-4-oxo-N-[6-(1-piperazinylmethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]-8-quinazolinecarboxamide IUPAC Name: 3-methyl-4-oxo-N-[6-(piperazin-1-ylmethyl)pyridin-2-yl]-2-[3-(trifluoromethyl)phenyl]quinazoline-8-carboxamide Traditional Name: 4-keto-3-methyl-N-[6-(piperazinomethyl)-2-pyridyl]-2-[3-(trifluoromethyl)phenyl]quinazoline-8-carboxamide Formula: C27H25F3N6O2 MolecularWeight: 522.52161

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C(C1=O)C=CC=C2C(=O)NC3=CC=CC(=N3)CN4CCNCC4)C5=CC(=CC=C5)C(F)(F)F

Isomeric SMILES

CN1C(=NC2=C(C1=O)C=CC=C2C(=O)NC3=CC=CC(=N3)CN4CCNCC4)C5=CC(=CC=C5)C(F)(F)F

InChI

InChI=1S/C27H25F3N6O2/c1-35-24(17-5-2-6-18(15-17)27(28,29)30)34-23-20(8-4-9-21(23)26(35)38)25(37)33-22-10-3-7-19(32-22)16-36-13-11-31-12-14-36/h2-10,15,31H,11-14,16H2,1H3,(H,32,33,37)