4-[(1R,3aR,6aS)-5-(1,3-benzodioxol-5-ylmethyl)-2,3,3-trimethyl-4,6-bis(oxidanylidene)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrol-1-yl]benzenecarboximidamide

Systemtic Name: 4-[(1R,3aR,6aS)-5-(1,3-benzodioxol-5-ylmethyl)-2,3,3-trimethyl-4,6-bis(oxidanylidene)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrol-1-yl]benzenecarboximidamide Openeye Name: 4-[(1R,3aR,6aS)-5-(1,3-benzodioxol-5-ylmethyl)-2,3,3-trimethyl-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrol-1-yl]benzamidine CAS Name: 4-[(1R,3aR,6aS)-5-(1,3-benzodioxol-5-ylmethyl)-2,3,3-trimethyl-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrol-1-yl]benzenecarboximidamide IUPAC Name: 4-[(1R,3aR,6aS)-5-(1,3-benzodioxol-5-ylmethyl)-2,3,3-trimethyl-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrol-1-yl]benzenecarboximidamide Traditional Name: 4-[(1R,3aR,6aS)-4,6-diketo-2,3,3-trimethyl-5-piperonyl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrol-1-yl]benzamidine Formula: C24H26N4O4 MolecularWeight: 434.48764

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2C(C(N1C)C3=CC=C(C=C3)C(=N)N)C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1([C@H]2[C@@H]([C@@H](N1C)C3=CC=C(C=C3)C(=N)N)C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C24H26N4O4/c1-24(2)19-18(20(27(24)3)14-5-7-15(8-6-14)21(25)26)22(29)28(23(19)30)11-13-4-9-16-17(10-13)32-12-31-16/h4-10,18-20H,11-12H2,1-3H3,(H3,25,26)/t18-,19-,20-/m0/s1