4-butyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]benzamide

Systemtic Name: 4-butyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]benzamide Openeye Name: 4-butyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-quinolyl]benzamide CAS Name: 4-butyl-N-[4-methyl-2-[4-(2-pyrimidinyl)-1-piperazinyl]-6-quinolinyl]benzamide IUPAC Name: 4-butyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]benzamide Traditional Name: 4-butyl-N-[4-methyl-2-[4-(2-pyrimidyl)piperazino]-6-quinolyl]benzamide Formula: C29H32N6O MolecularWeight: 480.60398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(C=C3C)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(C=C3C)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C29H32N6O/c1-3-4-6-22-7-9-23(10-8-22)28(36)32-24-11-12-26-25(20-24)21(2)19-27(33-26)34-15-17-35(18-16-34)29-30-13-5-14-31-29/h5,7-14,19-20H,3-4,6,15-18H2,1-2H3,(H,32,36)