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

Systemtic Name: N-[2-[[6-(4-isoquinolin-1-ylcarbonylpiperazin-1-yl)-2-phenyl-pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[6-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[6-[4-[1-isoquinolinyl(oxo)methyl]-1-piperazinyl]-2-phenyl-4-pyrimidinyl]amino]ethyl]acetamide IUPAC Name: N-[2-[[6-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]-2-phenylpyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[6-[4-(isoquinoline-1-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=NC=CC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)N2CCN(CC2)C(=O)C3=NC=CC4=CC=CC=C43)C5=CC=CC=C5

InChI

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