3-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]piperidin-1-yl]-2-ethyl-4-fluoranyl-benzamide phosphate

Systemtic Name: 3-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]piperidin-1-yl]-2-ethyl-4-fluoranyl-benzamide phosphate Openeye Name: 3-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-piperidyl]-2-ethyl-4-fluoro-benzamide phosphate CAS Name: 3-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]-1-piperidinyl]-2-ethyl-4-fluorobenzamide phosphate IUPAC Name: 3-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]-2-ethyl-4-fluorobenzamide phosphate Traditional Name: 3-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidino]-2-ethyl-4-fluoro-benzamide phosphate Formula: C26H32FN3O8P-3 MolecularWeight: 564.519744

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1N2CCCC(C2)C(=O)N3CCC4=CC(=C(C=C4C3)OC)OC)F)C(=O)N.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCC1=C(C=CC(=C1N2CCCC(C2)C(=O)N3CCC4=CC(=C(C=C4C3)OC)OC)F)C(=O)N.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C26H32FN3O4.H3O4P/c1-4-19-20(25(28)31)7-8-21(27)24(19)29-10-5-6-17(14-29)26(32)30-11-9-16-12-22(33-2)23(34-3)13-18(16)15-30;1-5(2,3)4/h7-8,12-13,17H,4-6,9-11,14-15H2,1-3H3,(H2,28,31);(H3,1,2,3,4)/p-3