1-(4-isoquinolin-1-ylpiperazin-1-yl)-2-[4-methoxy-7-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)-1H-indol-3-yl]ethane-1,2-dione

Systemtic Name: 1-(4-isoquinolin-1-ylpiperazin-1-yl)-2-[4-methoxy-7-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)-1H-indol-3-yl]ethane-1,2-dione Openeye Name: 1-[4-(1-isoquinolyl)piperazin-1-yl]-2-[4-methoxy-7-[3-(3-pyridyl)-1H-1,2,4-triazol-5-yl]-1H-indol-3-yl]ethane-1,2-dione CAS Name: 1-[4-(1-isoquinolinyl)-1-piperazinyl]-2-[4-methoxy-7-[3-(3-pyridinyl)-1H-1,2,4-triazol-5-yl]-1H-indol-3-yl]ethane-1,2-dione IUPAC Name: 1-(4-isoquinolin-1-ylpiperazin-1-yl)-2-[4-methoxy-7-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)-1H-indol-3-yl]ethane-1,2-dione Traditional Name: 1-[4-(1-isoquinolyl)piperazino]-2-[4-methoxy-7-[3-(3-pyridyl)-1H-1,2,4-triazol-5-yl]-1H-indol-3-yl]ethane-1,2-dione Formula: C31H26N8O3 MolecularWeight: 558.58994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CNC2=C(C=C1)C3=NC(=NN3)C4=CN=CC=C4)C(=O)C(=O)N5CCN(CC5)C6=NC=CC7=CC=CC=C76

Isomeric SMILES

COC1=C2C(=CNC2=C(C=C1)C3=NC(=NN3)C4=CN=CC=C4)C(=O)C(=O)N5CCN(CC5)C6=NC=CC7=CC=CC=C76

InChI

InChI=1S/C31H26N8O3/c1-42-24-9-8-22(29-35-28(36-37-29)20-6-4-11-32-17-20)26-25(24)23(18-34-26)27(40)31(41)39-15-13-38(14-16-39)30-21-7-3-2-5-19(21)10-12-33-30/h2-12,17-18,34H,13-16H2,1H3,(H,35,36,37)