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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[5-(2,4-dimethoxyphenyl)-2-phenyl-pyrazol-3-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[5-(2,4-dimethoxyphenyl)-2-phenyl-pyrazol-3-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[5-(2,4-dimethoxyphenyl)-2-phenyl-3-pyrazolyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[5-(2,4-dimethoxyphenyl)-2-phenylpyrazol-3-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[5-(2,4-dimethoxyphenyl)-2-phenyl-pyrazol-3-yl]methanone Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN(C(=C2)C(=O)N3CCC4=CC=CC=C4C3)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN(C(=C2)C(=O)N3CCC4=CC=CC=C4C3)C5=CC=CC=C5)OC

InChI

InChI=1S/C27H25N3O3/c1-32-22-12-13-23(26(16-22)33-2)24-17-25(30(28-24)21-10-4-3-5-11-21)27(31)29-15-14-19-8-6-7-9-20(19)18-29/h3-13,16-17H,14-15,18H2,1-2H3