3-[1-(4-tert-butylphenyl)-3,5-dimethyl-pyrazol-4-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one

Systemtic Name: 3-[1-(4-tert-butylphenyl)-3,5-dimethyl-pyrazol-4-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Openeye Name: 3-[1-(4-tert-butylphenyl)-3,5-dimethyl-pyrazol-4-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: 3-[1-(4-tert-butylphenyl)-3,5-dimethyl-4-pyrazolyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-propanone IUPAC Name: 3-[1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: 3-[1-(4-tert-butylphenyl)-3,5-dimethyl-pyrazol-4-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C27H33N3O MolecularWeight: 415.57042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(C)(C)C)C)CCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(C)(C)C)C)CCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C27H33N3O/c1-19-25(14-15-26(31)29-17-16-21-8-6-7-9-22(21)18-29)20(2)30(28-19)24-12-10-23(11-13-24)27(3,4)5/h6-13H,14-18H2,1-5H3