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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(3,5-dimethylphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(3,5-dimethylphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(3,5-dimethylphenyl)-5-(1-pyrrolyl)-4-pyrazolyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(3,5-dimethylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(3,5-dimethylphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]methanone Formula: C25H24N4O MolecularWeight: 396.48426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=C(C=N2)C(=O)N3CCC4=CC=CC=C4C3)N5C=CC=C5)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=C(C=N2)C(=O)N3CCC4=CC=CC=C4C3)N5C=CC=C5)C

InChI

InChI=1S/C25H24N4O/c1-18-13-19(2)15-22(14-18)29-24(27-10-5-6-11-27)23(16-26-29)25(30)28-12-9-20-7-3-4-8-21(20)17-28/h3-8,10-11,13-16H,9,12,17H2,1-2H3