(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methanone

Systemtic Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methanone Openeye Name: [1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]methanone IUPAC Name: (1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5)OC

InChI

InChI=1S/C27H26N4O3/c1-33-24-13-20-10-12-30(17-22(20)14-25(24)34-2)27(32)23-18-31(16-19-7-4-3-5-8-19)29-26(23)21-9-6-11-28-15-21/h3-9,11,13-15,18H,10,12,16-17H2,1-2H3