4-(3,3-dimethyl-4H-isoquinolin-1-yl)-5-methyl-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 4-(3,3-dimethyl-4H-isoquinolin-1-yl)-5-methyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 4-(3,3-dimethyl-4H-isoquinolin-1-yl)-5-methyl-2-phenyl-1H-pyrazol-3-one CAS Name: 4-(3,3-dimethyl-4H-isoquinolin-1-yl)-5-methyl-2-phenyl-1H-pyrazol-3-one IUPAC Name: 4-(3,3-dimethyl-4H-isoquinolin-1-yl)-5-methyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-(3,3-dimethyl-4H-isoquinolin-1-yl)-5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=NC(CC4=CC=CC=C43)(C)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=NC(CC4=CC=CC=C43)(C)C

InChI

InChI=1S/C21H21N3O/c1-14-18(20(25)24(23-14)16-10-5-4-6-11-16)19-17-12-8-7-9-15(17)13-21(2,3)22-19/h4-12,23H,13H2,1-3H3