N-[3-cyano-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-4-methoxy-quinoline-2-carboxamide

Systemtic Name: N-[3-cyano-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-4-methoxy-quinoline-2-carboxamide Openeye Name: N-[3-cyano-4-(4-morpholino-1-piperidyl)phenyl]-4-methoxy-quinoline-2-carboxamide CAS Name: N-[3-cyano-4-[4-(4-morpholinyl)-1-piperidinyl]phenyl]-4-methoxy-2-quinolinecarboxamide IUPAC Name: N-[3-cyano-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-4-methoxyquinoline-2-carboxamide Traditional Name: N-[3-cyano-4-(4-morpholinopiperidino)phenyl]-4-methoxy-quinaldamide Formula: C27H29N5O3 MolecularWeight: 471.55086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC2=CC=CC=C21)C(=O)NC3=CC(=C(C=C3)N4CCC(CC4)N5CCOCC5)C#N

Isomeric SMILES

COC1=CC(=NC2=CC=CC=C21)C(=O)NC3=CC(=C(C=C3)N4CCC(CC4)N5CCOCC5)C#N

InChI

InChI=1S/C27H29N5O3/c1-34-26-17-24(30-23-5-3-2-4-22(23)26)27(33)29-20-6-7-25(19(16-20)18-28)32-10-8-21(9-11-32)31-12-14-35-15-13-31/h2-7,16-17,21H,8-15H2,1H3,(H,29,33)