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

Systemtic Name: 1-(4-isoquinolin-1-ylpiperazin-1-yl)-2-[4-methoxy-7-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indol-3-yl]ethane-1,2-dione Openeye Name: 1-[4-(1-isoquinolyl)piperazin-1-yl]-2-[4-methoxy-7-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indol-3-yl]ethane-1,2-dione CAS Name: 1-[4-(1-isoquinolinyl)-1-piperazinyl]-2-[4-methoxy-7-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indol-3-yl]ethane-1,2-dione IUPAC Name: 1-(4-isoquinolin-1-ylpiperazin-1-yl)-2-[4-methoxy-7-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indol-3-yl]ethane-1,2-dione Traditional Name: 1-[4-(1-isoquinolyl)piperazino]-2-[4-methoxy-7-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indol-3-yl]ethane-1,2-dione Formula: C27H25N7O3 MolecularWeight: 495.5325

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)C2=C3C(=C(C=C2)OC)C(=CN3)C(=O)C(=O)N4CCN(CC4)C5=NC=CC6=CC=CC=C65

Isomeric SMILES

CC1=NC(=NN1)C2=C3C(=C(C=C2)OC)C(=CN3)C(=O)C(=O)N4CCN(CC4)C5=NC=CC6=CC=CC=C65

InChI

InChI=1S/C27H25N7O3/c1-16-30-25(32-31-16)19-7-8-21(37-2)22-20(15-29-23(19)22)24(35)27(36)34-13-11-33(12-14-34)26-18-6-4-3-5-17(18)9-10-28-26/h3-10,15,29H,11-14H2,1-2H3,(H,30,31,32)