4-[1,3-benzodioxol-5-yl(1H-indol-3-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 4-[1,3-benzodioxol-5-yl(1H-indol-3-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 4-[1,3-benzodioxol-5-yl(1H-indol-3-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one CAS Name: 4-[1,3-benzodioxol-5-yl(1H-indol-3-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one IUPAC Name: 4-[1,3-benzodioxol-5-yl(1H-indol-3-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-[1,3-benzodioxol-5-yl(1H-indol-3-yl)methyl]-5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C26H21N3O3 MolecularWeight: 423.46324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC4=C(C=C3)OCO4)C5=CNC6=CC=CC=C65

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC4=C(C=C3)OCO4)C5=CNC6=CC=CC=C65

InChI

InChI=1S/C26H21N3O3/c1-16-24(26(30)29(28-16)18-7-3-2-4-8-18)25(17-11-12-22-23(13-17)32-15-31-22)20-14-27-21-10-6-5-9-19(20)21/h2-14,25,27-28H,15H2,1H3