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

Systemtic Name: N-phenethyl-2-(pyrrolidin-1-ylmethyl)-7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-amine Openeye Name: N-phenethyl-2-(pyrrolidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridyl]quinazolin-4-amine CAS Name: N-phenethyl-2-(1-pyrrolidinylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-4-quinazolinamine IUPAC Name: N-phenethyl-2-(pyrrolidin-1-ylmethyl)-7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-amine Traditional Name: phenethyl-[2-(pyrrolidinomethyl)-7-[3-(trifluoromethyl)-2-pyridyl]quinazolin-4-yl]amine Formula: C27H26F3N5 MolecularWeight: 477.52405

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=NC3=C(C=CC(=C3)C4=C(C=CC=N4)C(F)(F)F)C(=N2)NCCC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)CC2=NC3=C(C=CC(=C3)C4=C(C=CC=N4)C(F)(F)F)C(=N2)NCCC5=CC=CC=C5

InChI

InChI=1S/C27H26F3N5/c28-27(29,30)22-9-6-13-31-25(22)20-10-11-21-23(17-20)33-24(18-35-15-4-5-16-35)34-26(21)32-14-12-19-7-2-1-3-8-19/h1-3,6-11,13,17H,4-5,12,14-16,18H2,(H,32,33,34)