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

Systemtic Name: N-[2-[[2-(4-chlorophenyl)-6-[4-(4-pyrrol-1-ylphenyl)carbonylpiperazin-1-yl]pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[2-(4-chlorophenyl)-6-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[2-(4-chlorophenyl)-6-[4-[oxo-[4-(1-pyrrolyl)phenyl]methyl]-1-piperazinyl]-4-pyrimidinyl]amino]ethyl]acetamide IUPAC Name: N-[2-[[2-(4-chlorophenyl)-6-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[2-(4-chlorophenyl)-6-[4-(4-pyrrol-1-ylbenzoyl)piperazino]pyrimidin-4-yl]amino]ethyl]acetamide Formula: C29H30ClN7O2 MolecularWeight: 544.0472

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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=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C29H30ClN7O2/c1-21(38)31-12-13-32-26-20-27(34-28(33-26)22-4-8-24(30)9-5-22)36-16-18-37(19-17-36)29(39)23-6-10-25(11-7-23)35-14-2-3-15-35/h2-11,14-15,20H,12-13,16-19H2,1H3,(H,31,38)(H,32,33,34)