N-[1-[4-[(4-chloranyl-2-fluoranyl-phenyl)-methyl-amino]-7-cyano-quinazolin-2-yl]piperidin-4-yl]-N-methyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[1-[4-[(4-chloranyl-2-fluoranyl-phenyl)-methyl-amino]-7-cyano-quinazolin-2-yl]piperidin-4-yl]-N-methyl-pyrrolidine-2-carboxamide Openeye Name: N-[1-[4-(4-chloro-2-fluoro-N-methyl-anilino)-7-cyano-quinazolin-2-yl]-4-piperidyl]-N-methyl-pyrrolidine-2-carboxamide CAS Name: N-[1-[4-(4-chloro-2-fluoro-N-methylanilino)-7-cyano-2-quinazolinyl]-4-piperidinyl]-N-methyl-2-pyrrolidinecarboxamide IUPAC Name: N-[1-[4-(4-chloro-2-fluoro-N-methylanilino)-7-cyanoquinazolin-2-yl]piperidin-4-yl]-N-methylpyrrolidine-2-carboxamide Traditional Name: N-[1-[4-(4-chloro-2-fluoro-N-methyl-anilino)-7-cyano-quinazolin-2-yl]-4-piperidyl]-N-methyl-pyrrolidine-2-carboxamide Formula: C27H29ClFN7O MolecularWeight: 522.016863

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(CC1)C2=NC3=C(C=CC(=C3)C#N)C(=N2)N(C)C4=C(C=C(C=C4)Cl)F)C(=O)C5CCCN5

Isomeric SMILES

CN(C1CCN(CC1)C2=NC3=C(C=CC(=C3)C#N)C(=N2)N(C)C4=C(C=C(C=C4)Cl)F)C(=O)C5CCCN5

InChI

InChI=1S/C27H29ClFN7O/c1-34(26(37)22-4-3-11-31-22)19-9-12-36(13-10-19)27-32-23-14-17(16-30)5-7-20(23)25(33-27)35(2)24-8-6-18(28)15-21(24)29/h5-8,14-15,19,22,31H,3-4,9-13H2,1-2H3