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

Systemtic Name: N-[2-[[6-(4-isoquinolin-3-ylcarbonylpiperazin-1-yl)-2-phenyl-pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[6-[4-(isoquinoline-3-carbonyl)piperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[6-[4-[3-isoquinolinyl(oxo)methyl]-1-piperazinyl]-2-phenyl-4-pyrimidinyl]amino]ethyl]acetamide IUPAC Name: N-[2-[[6-[4-(isoquinoline-3-carbonyl)piperazin-1-yl]-2-phenylpyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[6-[4-(isoquinoline-3-carbonyl)piperazino]-2-phenyl-pyrimidin-4-yl]amino]ethyl]acetamide Formula: C28H29N7O2 MolecularWeight: 495.57556

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H29N7O2/c1-20(36)29-11-12-30-25-18-26(33-27(32-25)21-7-3-2-4-8-21)34-13-15-35(16-14-34)28(37)24-17-22-9-5-6-10-23(22)19-31-24/h2-10,17-19H,11-16H2,1H3,(H,29,36)(H,30,32,33)