(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-pyrazol-1-ylphenyl)methanone

Systemtic Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-pyrazol-1-ylphenyl)methanone Openeye Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-pyrazol-1-ylphenyl)methanone CAS Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(1-pyrazolyl)phenyl]methanone IUPAC Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-pyrazol-1-ylphenyl)methanone Traditional Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-pyrazol-1-ylphenyl)methanone Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC=C(C=C3)N4C=CC=N4)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC=C(C=C3)N4C=CC=N4)OCC

InChI

InChI=1S/C23H25N3O3/c1-3-28-21-14-18-10-13-25(16-19(18)15-22(21)29-4-2)23(27)17-6-8-20(9-7-17)26-12-5-11-24-26/h5-9,11-12,14-15H,3-4,10,13,16H2,1-2H3