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

Systemtic Name: 3-cyano-4-methoxy-4-[4-(oxan-4-yl)piperazin-1-yl]-N-phenyl-1H-quinoline-2-carboxamide Openeye Name: 3-cyano-4-methoxy-N-phenyl-4-(4-tetrahydropyran-4-ylpiperazin-1-yl)-1H-quinoline-2-carboxamide CAS Name: 3-cyano-4-methoxy-4-[4-(4-oxanyl)-1-piperazinyl]-N-phenyl-1H-quinoline-2-carboxamide IUPAC Name: 3-cyano-4-methoxy-4-[4-(oxan-4-yl)piperazin-1-yl]-N-phenyl-1H-quinoline-2-carboxamide Traditional Name: 3-cyano-4-methoxy-N-phenyl-4-(4-tetrahydropyran-4-ylpiperazino)-1H-quinoline-2-carboxamide Formula: C27H31N5O3 MolecularWeight: 473.56674

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2=CC=CC=C2NC(=C1C#N)C(=O)NC3=CC=CC=C3)N4CCN(CC4)C5CCOCC5

Isomeric SMILES

COC1(C2=CC=CC=C2NC(=C1C#N)C(=O)NC3=CC=CC=C3)N4CCN(CC4)C5CCOCC5

InChI

InChI=1S/C27H31N5O3/c1-34-27(32-15-13-31(14-16-32)21-11-17-35-18-12-21)22-9-5-6-10-24(22)30-25(23(27)19-28)26(33)29-20-7-3-2-4-8-20/h2-10,21,30H,11-18H2,1H3,(H,29,33)