1-(7-imidazol-1-yl-4-methoxy-1H-indol-3-yl)-2-(4-isoquinolin-1-ylpiperazin-1-yl)ethane-1,2-dione

Systemtic Name: 1-(7-imidazol-1-yl-4-methoxy-1H-indol-3-yl)-2-(4-isoquinolin-1-ylpiperazin-1-yl)ethane-1,2-dione Openeye Name: 1-(7-imidazol-1-yl-4-methoxy-1H-indol-3-yl)-2-[4-(1-isoquinolyl)piperazin-1-yl]ethane-1,2-dione CAS Name: 1-[7-(1-imidazolyl)-4-methoxy-1H-indol-3-yl]-2-[4-(1-isoquinolinyl)-1-piperazinyl]ethane-1,2-dione IUPAC Name: 1-(7-imidazol-1-yl-4-methoxy-1H-indol-3-yl)-2-(4-isoquinolin-1-ylpiperazin-1-yl)ethane-1,2-dione Traditional Name: 1-(7-imidazol-1-yl-4-methoxy-1H-indol-3-yl)-2-[4-(1-isoquinolyl)piperazino]ethane-1,2-dione Formula: C27H24N6O3 MolecularWeight: 480.51786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CNC2=C(C=C1)N3C=CN=C3)C(=O)C(=O)N4CCN(CC4)C5=NC=CC6=CC=CC=C65

Isomeric SMILES

COC1=C2C(=CNC2=C(C=C1)N3C=CN=C3)C(=O)C(=O)N4CCN(CC4)C5=NC=CC6=CC=CC=C65

InChI

InChI=1S/C27H24N6O3/c1-36-22-7-6-21(33-11-10-28-17-33)24-23(22)20(16-30-24)25(34)27(35)32-14-12-31(13-15-32)26-19-5-3-2-4-18(19)8-9-29-26/h2-11,16-17,30H,12-15H2,1H3