N-(2-cyanoethyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide

Systemtic Name: N-(2-cyanoethyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide Openeye Name: N-(2-cyanoethyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide CAS Name: N-(2-cyanoethyl)-2-[4-(4-methoxyphenyl)-1-piperazinyl]-4-quinolinecarboxamide IUPAC Name: N-(2-cyanoethyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide Traditional Name: N-(2-cyanoethyl)-2-[4-(4-methoxyphenyl)piperazino]cinchoninamide Formula: C24H25N5O2 MolecularWeight: 415.4876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=NC4=CC=CC=C4C(=C3)C(=O)NCCC#N

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=NC4=CC=CC=C4C(=C3)C(=O)NCCC#N

InChI

InChI=1S/C24H25N5O2/c1-31-19-9-7-18(8-10-19)28-13-15-29(16-14-28)23-17-21(24(30)26-12-4-11-25)20-5-2-3-6-22(20)27-23/h2-3,5-10,17H,4,12-16H2,1H3,(H,26,30)