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

Systemtic Name: N-[2-(4-hydroxyphenyl)ethyl]-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide Openeye Name: N-[2-(4-hydroxyphenyl)ethyl]-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide CAS Name: N-[2-(4-hydroxyphenyl)ethyl]-3-[[2-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]amino]benzamide IUPAC Name: N-[2-(4-hydroxyphenyl)ethyl]-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide Traditional Name: N-[2-(4-hydroxyphenyl)ethyl]-3-[[2-(4-phenylpiperazino)pyrimidin-4-yl]amino]benzamide Formula: C29H30N6O2 MolecularWeight: 494.5875

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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=C(C=C5)O

Isomeric SMILES

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

InChI

InChI=1S/C29H30N6O2/c36-26-11-9-22(10-12-26)13-15-30-28(37)23-5-4-6-24(21-23)32-27-14-16-31-29(33-27)35-19-17-34(18-20-35)25-7-2-1-3-8-25/h1-12,14,16,21,36H,13,15,17-20H2,(H,30,37)(H,31,32,33)