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

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

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)N4CCN(CC4)C5=NC=CC=N5

InChI

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