3-pyridin-4-ylcarbonyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide dihydrochloride

Systemtic Name: 3-pyridin-4-ylcarbonyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide dihydrochloride Openeye Name: 3-(pyridine-4-carbonyl)-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide dihydrochloride CAS Name: 3-[oxo(pyridin-4-yl)methyl]-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide dihydrochloride IUPAC Name: 3-(pyridine-4-carbonyl)-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide dihydrochloride Traditional Name: 3-isonicotinoyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide dihydrochloride Formula: C22H21Cl2N3O2 MolecularWeight: 430.32704

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC2=C1C=CC(=C2)C3=C(C=CC=C3C(=O)N)C(=O)C4=CC=NC=C4.Cl.Cl

Isomeric SMILES

C1CNCC2=C1C=CC(=C2)C3=C(C=CC=C3C(=O)N)C(=O)C4=CC=NC=C4.Cl.Cl

InChI

InChI=1S/C22H19N3O2.2ClH/c23-22(27)19-3-1-2-18(21(26)15-7-9-24-10-8-15)20(19)16-5-4-14-6-11-25-13-17(14)12-16;;/h1-5,7-10,12,25H,6,11,13H2,(H2,23,27);2*1H