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

Systemtic Name: N-(4-cyanophenyl)-4-[3-(hydroxymethyl)-6-methoxy-7-(3-pyrrolidin-3-ylpropoxy)quinolin-4-yl]piperazine-1-carboxamide Openeye Name: N-(4-cyanophenyl)-4-[3-(hydroxymethyl)-6-methoxy-7-(3-pyrrolidin-3-ylpropoxy)-4-quinolyl]piperazine-1-carboxamide CAS Name: N-(4-cyanophenyl)-4-[3-(hydroxymethyl)-6-methoxy-7-[3-(3-pyrrolidinyl)propoxy]-4-quinolinyl]-1-piperazinecarboxamide IUPAC Name: N-(4-cyanophenyl)-4-[3-(hydroxymethyl)-6-methoxy-7-(3-pyrrolidin-3-ylpropoxy)quinolin-4-yl]piperazine-1-carboxamide Traditional Name: N-(4-cyanophenyl)-4-[6-methoxy-3-methylol-7-(3-pyrrolidin-3-ylpropoxy)-4-quinolyl]piperazine-1-carboxamide Formula: C30H36N6O4 MolecularWeight: 544.64464

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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)OCCCC5CCNC5

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)CO)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)C#N)OCCCC5CCNC5

InChI

InChI=1S/C30H36N6O4/c1-39-27-15-25-26(16-28(27)40-14-2-3-22-8-9-32-18-22)33-19-23(20-37)29(25)35-10-12-36(13-11-35)30(38)34-24-6-4-21(17-31)5-7-24/h4-7,15-16,19,22,32,37H,2-3,8-14,18,20H2,1H3,(H,34,38)