1-[3-(4-methoxyphenyl)pyridazino[4,3-c]isoquinolin-6-yl]piperidine-3-carboxylic acid

Systemtic Name: 1-[3-(4-methoxyphenyl)pyridazino[4,3-c]isoquinolin-6-yl]piperidine-3-carboxylic acid Openeye Name: 1-[3-(4-methoxyphenyl)pyridazino[4,3-c]isoquinolin-6-yl]piperidine-3-carboxylic acid CAS Name: 1-[3-(4-methoxyphenyl)-6-pyridazino[4,3-c]isoquinolinyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[3-(4-methoxyphenyl)pyridazino[4,3-c]isoquinolin-6-yl]piperidine-3-carboxylic acid Traditional Name: 1-[3-(4-methoxyphenyl)pyridazin[4,3-c]isoquinolin-6-yl]nipecotic acid Formula: C24H22N4O3 MolecularWeight: 414.45648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C3C4=CC=CC=C4C(=NC3=C2)N5CCCC(C5)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C3C4=CC=CC=C4C(=NC3=C2)N5CCCC(C5)C(=O)O

InChI

InChI=1S/C24H22N4O3/c1-31-17-10-8-15(9-11-17)20-13-21-22(27-26-20)18-6-2-3-7-19(18)23(25-21)28-12-4-5-16(14-28)24(29)30/h2-3,6-11,13,16H,4-5,12,14H2,1H3,(H,29,30)