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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[5-(3,4-dimethylphenyl)-2-phenyl-pyrazol-3-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[5-(3,4-dimethylphenyl)-2-phenyl-pyrazol-3-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[5-(3,4-dimethylphenyl)-2-phenyl-3-pyrazolyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[5-(3,4-dimethylphenyl)-2-phenylpyrazol-3-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[5-(3,4-dimethylphenyl)-2-phenyl-pyrazol-3-yl]methanone Formula: C27H25N3O MolecularWeight: 407.5069

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)N3CCC4=CC=CC=C4C3)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)N3CCC4=CC=CC=C4C3)C5=CC=CC=C5)C

InChI

InChI=1S/C27H25N3O/c1-19-12-13-22(16-20(19)2)25-17-26(30(28-25)24-10-4-3-5-11-24)27(31)29-15-14-21-8-6-7-9-23(21)18-29/h3-13,16-17H,14-15,18H2,1-2H3