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

Systemtic Name: N-[3-cyano-4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-4-methoxy-quinoline-2-carboxamide Openeye Name: N-[3-cyano-4-(4-tetrahydropyran-4-ylpiperazin-1-yl)phenyl]-4-methoxy-quinoline-2-carboxamide CAS Name: N-[3-cyano-4-[4-(4-oxanyl)-1-piperazinyl]phenyl]-4-methoxy-2-quinolinecarboxamide IUPAC Name: N-[3-cyano-4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-4-methoxyquinoline-2-carboxamide Traditional Name: N-[3-cyano-4-(4-tetrahydropyran-4-ylpiperazino)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)N4CCN(CC4)C5CCOCC5)C#N

Isomeric SMILES

COC1=CC(=NC2=CC=CC=C21)C(=O)NC3=CC(=C(C=C3)N4CCN(CC4)C5CCOCC5)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)32-12-10-31(11-13-32)21-8-14-35-15-9-21/h2-7,16-17,21H,8-15H2,1H3,(H,29,33)