N-[4-[2-[[3-(4-phenylpiperazin-1-yl)carbonylphenyl]amino]pyrimidin-4-yl]phenyl]ethanamide

Systemtic Name: N-[4-[2-[[3-(4-phenylpiperazin-1-yl)carbonylphenyl]amino]pyrimidin-4-yl]phenyl]ethanamide Openeye Name: N-[4-[2-[3-(4-phenylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide CAS Name: N-[4-[2-[3-[oxo-(4-phenyl-1-piperazinyl)methyl]anilino]-4-pyrimidinyl]phenyl]acetamide IUPAC Name: N-[4-[2-[3-(4-phenylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide Traditional Name: N-[4-[2-[3-(4-phenylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide Formula: C29H28N6O2 MolecularWeight: 492.57162

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=NC(=NC=C2)NC3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=NC(=NC=C2)NC3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C29H28N6O2/c1-21(36)31-24-12-10-22(11-13-24)27-14-15-30-29(33-27)32-25-7-5-6-23(20-25)28(37)35-18-16-34(17-19-35)26-8-3-2-4-9-26/h2-15,20H,16-19H2,1H3,(H,31,36)(H,30,32,33)