1-(4-isoquinolin-1-ylpiperazin-1-yl)-2-[4-methoxy-7-(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-(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-(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-(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-(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-(1H-1,2,4-triazol-5-yl)-1H-indol-3-yl]ethane-1,2-dione Formula: C26H23N7O3 MolecularWeight: 481.50592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CNC2=C(C=C1)C3=NC=NN3)C(=O)C(=O)N4CCN(CC4)C5=NC=CC6=CC=CC=C65

Isomeric SMILES

COC1=C2C(=CNC2=C(C=C1)C3=NC=NN3)C(=O)C(=O)N4CCN(CC4)C5=NC=CC6=CC=CC=C65

InChI

InChI=1S/C26H23N7O3/c1-36-20-7-6-18(24-29-15-30-31-24)22-21(20)19(14-28-22)23(34)26(35)33-12-10-32(11-13-33)25-17-5-3-2-4-16(17)8-9-27-25/h2-9,14-15,28H,10-13H2,1H3,(H,29,30,31)