3-[2-(4-isoquinolin-1-ylpiperazin-1-yl)-2-oxidanylidene-ethanoyl]-4-methoxy-N'-oxidanyl-1H-indole-7-carboximidamide

Systemtic Name: 3-[2-(4-isoquinolin-1-ylpiperazin-1-yl)-2-oxidanylidene-ethanoyl]-4-methoxy-N'-oxidanyl-1H-indole-7-carboximidamide Openeye Name: N'-hydroxy-3-[2-[4-(1-isoquinolyl)piperazin-1-yl]-2-oxo-acetyl]-4-methoxy-1H-indole-7-carboxamidine CAS Name: N'-hydroxy-3-[2-[4-(1-isoquinolinyl)-1-piperazinyl]-1,2-dioxoethyl]-4-methoxy-1H-indole-7-carboximidamide IUPAC Name: N'-hydroxy-3-[2-(4-isoquinolin-1-ylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-indole-7-carboximidamide Traditional Name: N'-hydroxy-3-[2-[4-(1-isoquinolyl)piperazino]-2-keto-acetyl]-4-methoxy-1H-indole-7-carboxamidine Formula: C25H24N6O4 MolecularWeight: 472.49586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CNC2=C(C=C1)C(=NO)N)C(=O)C(=O)N3CCN(CC3)C4=NC=CC5=CC=CC=C54

Isomeric SMILES

COC1=C2C(=CNC2=C(C=C1)/C(=N/O)/N)C(=O)C(=O)N3CCN(CC3)C4=NC=CC5=CC=CC=C54

InChI

InChI=1S/C25H24N6O4/c1-35-19-7-6-17(23(26)29-34)21-20(19)18(14-28-21)22(32)25(33)31-12-10-30(11-13-31)24-16-5-3-2-4-15(16)8-9-27-24/h2-9,14,28,34H,10-13H2,1H3,(H2,26,29)