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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=NC=CC(=N3)NC4=CC=CC(=C4)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=NC=CC(=N3)NC4=CC=CC(=C4)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C29H30N6O/c36-28(30-16-14-23-8-3-1-4-9-23)24-10-7-11-25(22-24)32-27-15-17-31-29(33-27)35-20-18-34(19-21-35)26-12-5-2-6-13-26/h1-13,15,17,22H,14,16,18-21H2,(H,30,36)(H,31,32,33)