N-phenethyl-2-(piperidin-1-ylmethyl)-7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-amine

Systemtic Name: N-phenethyl-2-(piperidin-1-ylmethyl)-7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-amine Openeye Name: N-phenethyl-2-(1-piperidylmethyl)-7-[3-(trifluoromethyl)-2-pyridyl]quinazolin-4-amine CAS Name: N-phenethyl-2-(1-piperidinylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-4-quinazolinamine IUPAC Name: N-phenethyl-2-(piperidin-1-ylmethyl)-7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-amine Traditional Name: phenethyl-[2-(piperidinomethyl)-7-[3-(trifluoromethyl)-2-pyridyl]quinazolin-4-yl]amine Formula: C28H28F3N5 MolecularWeight: 491.55063

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=NC3=C(C=CC(=C3)C4=C(C=CC=N4)C(F)(F)F)C(=N2)NCCC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)CC2=NC3=C(C=CC(=C3)C4=C(C=CC=N4)C(F)(F)F)C(=N2)NCCC5=CC=CC=C5

InChI

InChI=1S/C28H28F3N5/c29-28(30,31)23-10-7-14-32-26(23)21-11-12-22-24(18-21)34-25(19-36-16-5-2-6-17-36)35-27(22)33-15-13-20-8-3-1-4-9-20/h1,3-4,7-12,14,18H,2,5-6,13,15-17,19H2,(H,33,34,35)