3,4-dihydro-1H-isoquinolin-2-yl-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NNC(=C2)C(=O)N3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NNC(=C2)C(=O)N3CCC4=CC=CC=C4C3)C

InChI

InChI=1S/C21H21N3O/c1-14-7-8-17(11-15(14)2)19-12-20(23-22-19)21(25)24-10-9-16-5-3-4-6-18(16)13-24/h3-8,11-12H,9-10,13H2,1-2H3,(H,22,23)