3-[(3,4-diethoxyphenyl)methyl]-6-phenyl-1,5,6,7-tetrahydroindazol-4-one

Systemtic Name: 3-[(3,4-diethoxyphenyl)methyl]-6-phenyl-1,5,6,7-tetrahydroindazol-4-one Openeye Name: 3-[(3,4-diethoxyphenyl)methyl]-6-phenyl-1,5,6,7-tetrahydroindazol-4-one CAS Name: 3-[(3,4-diethoxyphenyl)methyl]-6-phenyl-1,5,6,7-tetrahydroindazol-4-one IUPAC Name: 3-[(3,4-diethoxyphenyl)methyl]-6-phenyl-1,5,6,7-tetrahydroindazol-4-one Traditional Name: 3-(3,4-diethoxybenzyl)-6-phenyl-1,5,6,7-tetrahydroindazol-4-one Formula: C24H26N2O3 MolecularWeight: 390.47484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC2=NNC3=C2C(=O)CC(C3)C4=CC=CC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC2=NNC3=C2C(=O)CC(C3)C4=CC=CC=C4)OCC

InChI

InChI=1S/C24H26N2O3/c1-3-28-22-11-10-16(13-23(22)29-4-2)12-19-24-20(26-25-19)14-18(15-21(24)27)17-8-6-5-7-9-17/h5-11,13,18H,3-4,12,14-15H2,1-2H3,(H,25,26)