7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-5-(2-methoxyethyl)-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one

Systemtic Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-5-(2-methoxyethyl)-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Openeye Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-(2-methoxyethyl)-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one CAS Name: 7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-5-(2-methoxyethyl)-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one IUPAC Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-(2-methoxyethyl)-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Traditional Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-(2-methoxyethyl)-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Formula: C25H25N4O3+ MolecularWeight: 429.491

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

COCC[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C25H24N4O3/c1-32-14-13-27-16-21(24(30)28-12-11-18-7-5-6-8-19(18)15-28)23-22(17-27)25(31)29(26-23)20-9-3-2-4-10-20/h2-10,16-17H,11-15H2,1H3/p+1