N-(2-ethylphenyl)-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide

Systemtic Name: N-(2-ethylphenyl)-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide Openeye Name: N-(2-ethylphenyl)-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide CAS Name: N-(2-ethylphenyl)-3-[[2-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]amino]benzamide IUPAC Name: N-(2-ethylphenyl)-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide Traditional Name: N-(2-ethylphenyl)-3-[[2-(4-phenylpiperazino)pyrimidin-4-yl]amino]benzamide Formula: C29H30N6O MolecularWeight: 478.5881

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)NC3=NC(=NC=C3)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)NC3=NC(=NC=C3)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C29H30N6O/c1-2-22-9-6-7-14-26(22)32-28(36)23-10-8-11-24(21-23)31-27-15-16-30-29(33-27)35-19-17-34(18-20-35)25-12-4-3-5-13-25/h3-16,21H,2,17-20H2,1H3,(H,32,36)(H,30,31,33)