4-[(3aS,4R,8aS,8bR)-1,3-bis(oxidanylidene)-2-(pyridin-4-ylmethyl)-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide

Systemtic Name: 4-[(3aS,4R,8aS,8bR)-1,3-bis(oxidanylidene)-2-(pyridin-4-ylmethyl)-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide Openeye Name: 4-[(3aS,4R,8aS,8bR)-1,3-dioxo-2-(4-pyridylmethyl)-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizin-4-yl]benzamidine CAS Name: 4-[(3aS,4R,8aS,8bR)-1,3-dioxo-2-(pyridin-4-ylmethyl)-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide IUPAC Name: 4-[(3aS,4R,8aS,8bR)-1,3-dioxo-2-(pyridin-4-ylmethyl)-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide Traditional Name: 4-[(3aS,4R,8aS,8bR)-1,3-diketo-2-(4-pyridylmethyl)-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizin-4-yl]benzamidine Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C3C(C(N2C1)C4=CC=C(C=C4)C(=N)N)C(=O)N(C3=O)CC5=CC=NC=C5

Isomeric SMILES

C1C[C@H]2[C@H]3[C@@H]([C@@H](N2C1)C4=CC=C(C=C4)C(=N)N)C(=O)N(C3=O)CC5=CC=NC=C5

InChI

InChI=1S/C22H23N5O2/c23-20(24)15-5-3-14(4-6-15)19-18-17(16-2-1-11-26(16)19)21(28)27(22(18)29)12-13-7-9-25-10-8-13/h3-10,16-19H,1-2,11-12H2,(H3,23,24)/t16-,17-,18-,19-/m0/s1