N-[2-[[6-[4-(2-oxidanyl-5-pyrrol-1-yl-phenyl)carbonylpiperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]ethanamide

Systemtic Name: N-[2-[[6-[4-(2-oxidanyl-5-pyrrol-1-yl-phenyl)carbonylpiperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[6-[4-(2-hydroxy-5-pyrrol-1-yl-benzoyl)piperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[6-[4-[[2-hydroxy-5-(1-pyrrolyl)phenyl]-oxomethyl]-1-piperazinyl]-2-phenyl-4-pyrimidinyl]amino]ethyl]acetamide IUPAC Name: N-[2-[[6-[4-(2-hydroxy-5-pyrrol-1-ylbenzoyl)piperazin-1-yl]-2-phenylpyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[6-[4-(2-hydroxy-5-pyrrol-1-yl-benzoyl)piperazino]-2-phenyl-pyrimidin-4-yl]amino]ethyl]acetamide Formula: C29H31N7O3 MolecularWeight: 525.60154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31N7O3/c1-21(37)30-11-12-31-26-20-27(33-28(32-26)22-7-3-2-4-8-22)35-15-17-36(18-16-35)29(39)24-19-23(9-10-25(24)38)34-13-5-6-14-34/h2-10,13-14,19-20,38H,11-12,15-18H2,1H3,(H,30,37)(H,31,32,33)