N-(2-cyanophenyl)-4-[8-(2,4-dimethoxyphenyl)quinolin-2-yl]piperazine-1-carboxamide

Systemtic Name: N-(2-cyanophenyl)-4-[8-(2,4-dimethoxyphenyl)quinolin-2-yl]piperazine-1-carboxamide Openeye Name: N-(2-cyanophenyl)-4-[8-(2,4-dimethoxyphenyl)-2-quinolyl]piperazine-1-carboxamide CAS Name: N-(2-cyanophenyl)-4-[8-(2,4-dimethoxyphenyl)-2-quinolinyl]-1-piperazinecarboxamide IUPAC Name: N-(2-cyanophenyl)-4-[8-(2,4-dimethoxyphenyl)quinolin-2-yl]piperazine-1-carboxamide Traditional Name: N-(2-cyanophenyl)-4-[8-(2,4-dimethoxyphenyl)-2-quinolyl]piperazine-1-carboxamide Formula: C29H27N5O3 MolecularWeight: 493.55638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=CC=CC3=C2N=C(C=C3)N4CCN(CC4)C(=O)NC5=CC=CC=C5C#N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=CC=CC3=C2N=C(C=C3)N4CCN(CC4)C(=O)NC5=CC=CC=C5C#N)OC

InChI

InChI=1S/C29H27N5O3/c1-36-22-11-12-23(26(18-22)37-2)24-8-5-7-20-10-13-27(32-28(20)24)33-14-16-34(17-15-33)29(35)31-25-9-4-3-6-21(25)19-30/h3-13,18H,14-17H2,1-2H3,(H,31,35)