N-[2-[[2-phenyl-6-[4-(4-pyrrol-1-ylphenyl)carbonylpiperazin-1-yl]pyrimidin-4-yl]amino]ethyl]ethanamide

Systemtic Name: N-[2-[[2-phenyl-6-[4-(4-pyrrol-1-ylphenyl)carbonylpiperazin-1-yl]pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[2-phenyl-6-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[6-[4-[oxo-[4-(1-pyrrolyl)phenyl]methyl]-1-piperazinyl]-2-phenyl-4-pyrimidinyl]amino]ethyl]acetamide IUPAC Name: N-[2-[[2-phenyl-6-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[2-phenyl-6-[4-(4-pyrrol-1-ylbenzoyl)piperazino]pyrimidin-4-yl]amino]ethyl]acetamide Formula: C29H31N7O2 MolecularWeight: 509.60214

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H31N7O2/c1-22(37)30-13-14-31-26-21-27(33-28(32-26)23-7-3-2-4-8-23)35-17-19-36(20-18-35)29(38)24-9-11-25(12-10-24)34-15-5-6-16-34/h2-12,15-16,21H,13-14,17-20H2,1H3,(H,30,37)(H,31,32,33)