4-[[4-[(3-chloranyl-2-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]methyl-methyl-amino]-1-methyl-piperidine-4-carboxamide

Systemtic Name: 4-[[4-[(3-chloranyl-2-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]methyl-methyl-amino]-1-methyl-piperidine-4-carboxamide Openeye Name: 4-[[4-(3-chloro-2-fluoro-anilino)-7-methoxy-quinazolin-6-yl]methyl-methyl-amino]-1-methyl-piperidine-4-carboxamide CAS Name: 4-[[4-(3-chloro-2-fluoroanilino)-7-methoxy-6-quinazolinyl]methyl-methylamino]-1-methyl-4-piperidinecarboxamide IUPAC Name: 4-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl-methylamino]-1-methylpiperidine-4-carboxamide Traditional Name: 4-[[4-(3-chloro-2-fluoro-anilino)-7-methoxy-quinazolin-6-yl]methyl-methyl-amino]-1-methyl-isonipecotamide Formula: C24H28ClFN6O2 MolecularWeight: 486.969523

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)(C(=O)N)N(C)CC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC

Isomeric SMILES

CN1CCC(CC1)(C(=O)N)N(C)CC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC

InChI

InChI=1S/C24H28ClFN6O2/c1-31-9-7-24(8-10-31,23(27)33)32(2)13-15-11-16-19(12-20(15)34-3)28-14-29-22(16)30-18-6-4-5-17(25)21(18)26/h4-6,11-12,14H,7-10,13H2,1-3H3,(H2,27,33)(H,28,29,30)