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

Systemtic Name: 2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-3,4-dihydro-1H-isoquinoline Formula: C21H23N3 MolecularWeight: 317.42742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C=NN2)CN3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C=NN2)CN3CCC4=CC=CC=C4C3)C

InChI

InChI=1S/C21H23N3/c1-15-7-8-18(11-16(15)2)21-20(12-22-23-21)14-24-10-9-17-5-3-4-6-19(17)13-24/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,22,23)