5-(1,3-benzodioxol-5-ylmethyl)-4-(3-ethoxy-4-oxidanyl-phenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-(3-ethoxy-4-oxidanyl-phenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one Openeye Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-(3-ethoxy-4-hydroxy-phenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one IUPAC Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one Traditional Name: 4-(3-ethoxy-4-hydroxy-phenyl)-3-phenyl-5-piperonyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one Formula: C27H23N3O5 MolecularWeight: 469.48862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C3=C(C(=O)N2CC4=CC5=C(C=C4)OCO5)NN=C3C6=CC=CC=C6)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C3=C(C(=O)N2CC4=CC5=C(C=C4)OCO5)NN=C3C6=CC=CC=C6)O

InChI

InChI=1S/C27H23N3O5/c1-2-33-21-13-18(9-10-19(21)31)26-23-24(17-6-4-3-5-7-17)28-29-25(23)27(32)30(26)14-16-8-11-20-22(12-16)35-15-34-20/h3-13,26,31H,2,14-15H2,1H3,(H,28,29)