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

Systemtic Name: 2-(azepan-1-ylmethyl)-N-phenethyl-7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-amine Openeye Name: 2-(azepan-1-ylmethyl)-N-phenethyl-7-[3-(trifluoromethyl)-2-pyridyl]quinazolin-4-amine CAS Name: 2-(1-azepanylmethyl)-N-phenethyl-7-[3-(trifluoromethyl)-2-pyridinyl]-4-quinazolinamine IUPAC Name: 2-(azepan-1-ylmethyl)-N-phenethyl-7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-amine Traditional Name: [2-(azepan-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridyl]quinazolin-4-yl]-phenethyl-amine Formula: C29H30F3N5 MolecularWeight: 505.57721

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=NC3=C(C=CC(=C3)C4=C(C=CC=N4)C(F)(F)F)C(=N2)NCCC5=CC=CC=C5

Isomeric SMILES

C1CCCN(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/C29H30F3N5/c30-29(31,32)24-11-8-15-33-27(24)22-12-13-23-25(19-22)35-26(20-37-17-6-1-2-7-18-37)36-28(23)34-16-14-21-9-4-3-5-10-21/h3-5,8-13,15,19H,1-2,6-7,14,16-18,20H2,(H,34,35,36)