4-(3-ethoxy-4-prop-2-enoxy-phenyl)-1-methyl-3-(4-methylphenyl)-5-(phenylmethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one

Systemtic Name: 4-(3-ethoxy-4-prop-2-enoxy-phenyl)-1-methyl-3-(4-methylphenyl)-5-(phenylmethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one Openeye Name: 4-(4-allyloxy-3-ethoxy-phenyl)-5-benzyl-1-methyl-3-(p-tolyl)-4H-pyrrolo[3,4-c]pyrazol-6-one CAS Name: 4-(3-ethoxy-4-prop-2-enoxyphenyl)-1-methyl-3-(4-methylphenyl)-5-(phenylmethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one IUPAC Name: 5-benzyl-4-(3-ethoxy-4-prop-2-enoxyphenyl)-1-methyl-3-(4-methylphenyl)-4H-pyrrolo[3,4-c]pyrazol-6-one Traditional Name: 4-(4-allyloxy-3-ethoxy-phenyl)-5-benzyl-1-methyl-3-(p-tolyl)-4H-pyrrolo[3,4-c]pyrazol-6-one Formula: C31H31N3O3 MolecularWeight: 493.59614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C3=C(C(=O)N2CC4=CC=CC=C4)N(N=C3C5=CC=C(C=C5)C)C)OCC=C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C3=C(C(=O)N2CC4=CC=CC=C4)N(N=C3C5=CC=C(C=C5)C)C)OCC=C

InChI

InChI=1S/C31H31N3O3/c1-5-18-37-25-17-16-24(19-26(25)36-6-2)29-27-28(23-14-12-21(3)13-15-23)32-33(4)30(27)31(35)34(29)20-22-10-8-7-9-11-22/h5,7-17,19,29H,1,6,18,20H2,2-4H3