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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-(2,4-dimethylphenyl)-5-(3,4-dimethylphenyl)pyrazol-3-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-(2,4-dimethylphenyl)-5-(3,4-dimethylphenyl)pyrazol-3-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-(2,4-dimethylphenyl)-5-(3,4-dimethylphenyl)-3-pyrazolyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-(2,4-dimethylphenyl)-5-(3,4-dimethylphenyl)pyrazol-3-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-(2,4-dimethylphenyl)-5-(3,4-dimethylphenyl)pyrazol-3-yl]methanone Formula: C29H29N3O MolecularWeight: 435.56006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC(=C(C=C3)C)C)C(=O)N4CCC5=CC=CC=C5C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC(=C(C=C3)C)C)C(=O)N4CCC5=CC=CC=C5C4)C

InChI

InChI=1S/C29H29N3O/c1-19-9-12-27(22(4)15-19)32-28(17-26(30-32)24-11-10-20(2)21(3)16-24)29(33)31-14-13-23-7-5-6-8-25(23)18-31/h5-12,15-17H,13-14,18H2,1-4H3