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

Systemtic Name: (3,4-diethoxyphenyl)-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]methanone Openeye Name: (3,4-diethoxyphenyl)-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]methanone CAS Name: (3,4-diethoxyphenyl)-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-1-pyrazolyl]methanone IUPAC Name: (3,4-diethoxyphenyl)-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methanone Traditional Name: (3,4-diethoxyphenyl)-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]methanone Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2C(=C(C(=N2)C)S(=O)(=O)N3CCC4=CC=CC=C4C3)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2C(=C(C(=N2)C)S(=O)(=O)N3CCC4=CC=CC=C4C3)C)OCC

InChI

InChI=1S/C25H29N3O5S/c1-5-32-22-12-11-20(15-23(22)33-6-2)25(29)28-18(4)24(17(3)26-28)34(30,31)27-14-13-19-9-7-8-10-21(19)16-27/h7-12,15H,5-6,13-14,16H2,1-4H3