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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(3,4-dimethylphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(3,4-dimethylphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(3,4-dimethylphenyl)-5-(1-pyrrolyl)-4-pyrazolyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(3,4-dimethylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(3,4-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=C(C=C(C=C1)N2C(=C(C=N2)C(=O)N3CCC4=CC=CC=C4C3)N5C=CC=C5)C

Isomeric SMILES

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

InChI

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