N-cycloheptyl-2-[4-(4-fluoranylpiperidin-1-yl)piperidin-1-yl]-6,7-dimethoxy-quinazolin-4-amine

Systemtic Name: N-cycloheptyl-2-[4-(4-fluoranylpiperidin-1-yl)piperidin-1-yl]-6,7-dimethoxy-quinazolin-4-amine Openeye Name: N-cycloheptyl-2-[4-(4-fluoro-1-piperidyl)-1-piperidyl]-6,7-dimethoxy-quinazolin-4-amine CAS Name: N-cycloheptyl-2-[4-(4-fluoro-1-piperidinyl)-1-piperidinyl]-6,7-dimethoxy-4-quinazolinamine IUPAC Name: N-cycloheptyl-2-[4-(4-fluoropiperidin-1-yl)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine Traditional Name: cycloheptyl-[2-[4-(4-fluoropiperidino)piperidino]-6,7-dimethoxy-quinazolin-4-yl]amine Formula: C27H40FN5O2 MolecularWeight: 485.637203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC(CC3)N4CCC(CC4)F)NC5CCCCCC5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC(CC3)N4CCC(CC4)F)NC5CCCCCC5)OC

InChI

InChI=1S/C27H40FN5O2/c1-34-24-17-22-23(18-25(24)35-2)30-27(31-26(22)29-20-7-5-3-4-6-8-20)33-15-11-21(12-16-33)32-13-9-19(28)10-14-32/h17-21H,3-16H2,1-2H3,(H,29,30,31)