N-[2-[[2-(4-chlorophenyl)-6-(4-isoquinolin-3-ylcarbonylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]ethanamide

Systemtic Name: N-[2-[[2-(4-chlorophenyl)-6-(4-isoquinolin-3-ylcarbonylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[2-(4-chlorophenyl)-6-[4-(isoquinoline-3-carbonyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[2-(4-chlorophenyl)-6-[4-[3-isoquinolinyl(oxo)methyl]-1-piperazinyl]-4-pyrimidinyl]amino]ethyl]acetamide IUPAC Name: N-[2-[[2-(4-chlorophenyl)-6-[4-(isoquinoline-3-carbonyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[2-(4-chlorophenyl)-6-[4-(isoquinoline-3-carbonyl)piperazino]pyrimidin-4-yl]amino]ethyl]acetamide Formula: C28H28ClN7O2 MolecularWeight: 530.02062

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4C=N3)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4C=N3)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H28ClN7O2/c1-19(37)30-10-11-31-25-17-26(34-27(33-25)20-6-8-23(29)9-7-20)35-12-14-36(15-13-35)28(38)24-16-21-4-2-3-5-22(21)18-32-24/h2-9,16-18H,10-15H2,1H3,(H,30,37)(H,31,33,34)