N-(4-cyanophenyl)-4-[3-(hydroxymethyl)-6-methoxy-7-(3-piperidin-3-ylpropoxy)quinolin-4-yl]piperazine-1-carboxamide

Systemtic Name: N-(4-cyanophenyl)-4-[3-(hydroxymethyl)-6-methoxy-7-(3-piperidin-3-ylpropoxy)quinolin-4-yl]piperazine-1-carboxamide Openeye Name: N-(4-cyanophenyl)-4-[3-(hydroxymethyl)-6-methoxy-7-[3-(3-piperidyl)propoxy]-4-quinolyl]piperazine-1-carboxamide CAS Name: N-(4-cyanophenyl)-4-[3-(hydroxymethyl)-6-methoxy-7-[3-(3-piperidinyl)propoxy]-4-quinolinyl]-1-piperazinecarboxamide IUPAC Name: N-(4-cyanophenyl)-4-[3-(hydroxymethyl)-6-methoxy-7-(3-piperidin-3-ylpropoxy)quinolin-4-yl]piperazine-1-carboxamide Traditional Name: N-(4-cyanophenyl)-4-[6-methoxy-3-methylol-7-[3-(3-piperidyl)propoxy]-4-quinolyl]piperazine-1-carboxamide Formula: C31H38N6O4 MolecularWeight: 558.67122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)CO)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)C#N)OCCCC5CCCNC5

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)CO)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)C#N)OCCCC5CCCNC5

InChI

InChI=1S/C31H38N6O4/c1-40-28-16-26-27(17-29(28)41-15-3-5-23-4-2-10-33-19-23)34-20-24(21-38)30(26)36-11-13-37(14-12-36)31(39)35-25-8-6-22(18-32)7-9-25/h6-9,16-17,20,23,33,38H,2-5,10-15,19,21H2,1H3,(H,35,39)