1-[7-ethanoyl-1-[[4-(4-ethanoyl-2-methoxy-pyrimidin-5-yl)phenyl]methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]ethanone dihydrochloride

Systemtic Name: 1-[7-ethanoyl-1-[[4-(4-ethanoyl-2-methoxy-pyrimidin-5-yl)phenyl]methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]ethanone dihydrochloride Openeye Name: 1-[7-acetyl-1-[[4-(4-acetyl-2-methoxy-pyrimidin-5-yl)phenyl]methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]ethanone dihydrochloride CAS Name: 1-[7-acetyl-1-[[4-(4-acetyl-2-methoxy-5-pyrimidinyl)phenyl]methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]ethanone dihydrochloride IUPAC Name: 1-[7-acetyl-1-[[4-(4-acetyl-2-methoxypyrimidin-5-yl)phenyl]methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]ethanone dihydrochloride Traditional Name: 1-[7-acetyl-1-[4-(4-acetyl-2-methoxy-pyrimidin-5-yl)benzyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]ethanone dihydrochloride Formula: C27H29Cl2N3O4 MolecularWeight: 530.44286

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1C(=O)C)C(NCC2)CC3=CC=C(C=C3)C4=CN=C(N=C4C(=O)C)OC.Cl.Cl

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1C(=O)C)C(NCC2)CC3=CC=C(C=C3)C4=CN=C(N=C4C(=O)C)OC.Cl.Cl

InChI

InChI=1S/C27H27N3O4.2ClH/c1-15(31)21-12-20-9-10-28-25(23(20)13-22(21)16(2)32)11-18-5-7-19(8-6-18)24-14-29-27(34-4)30-26(24)17(3)33;;/h5-8,12-14,25,28H,9-11H2,1-4H3;2*1H