2-ethyl-6,7-dimethoxy-4-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-isoquinolin-1-one

Systemtic Name: 2-ethyl-6,7-dimethoxy-4-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-isoquinolin-1-one Openeye Name: 2-ethyl-6,7-dimethoxy-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]isoquinolin-1-one CAS Name: 2-ethyl-6,7-dimethoxy-4-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-1-isoquinolinone IUPAC Name: 2-ethyl-6,7-dimethoxy-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]isoquinolin-1-one Traditional Name: 2-ethyl-6,7-dimethoxy-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]isocarbostyril Formula: C24H26N4O6 MolecularWeight: 466.48644

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H26N4O6/c1-4-25-15-20(18-13-21(33-2)22(34-3)14-19(18)23(25)29)24(30)27-11-9-26(10-12-27)16-5-7-17(8-6-16)28(31)32/h5-8,13-15H,4,9-12H2,1-3H3