(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-phenylpyrazol-4-yl)methanone

Systemtic Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-phenylpyrazol-4-yl)methanone Openeye Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-phenylpyrazol-4-yl)methanone CAS Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-phenyl-4-pyrazolyl)methanone IUPAC Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-phenylpyrazol-4-yl)methanone Traditional Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-phenylpyrazol-4-yl)methanone Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3/c1-26-19-10-15-8-9-23(13-16(15)11-20(19)27-2)21(25)17-12-22-24(14-17)18-6-4-3-5-7-18/h3-7,10-12,14H,8-9,13H2,1-2H3