4-[(3aR,4S,9aR,9bS)-1,3-bis(oxidanylidene)-2-(phenylmethyl)-3a,4,6,7,8,9,9a,9b-octahydropyrrolo[3,4-a]indolizin-4-yl]benzenecarboximidamide

Systemtic Name: 4-[(3aR,4S,9aR,9bS)-1,3-bis(oxidanylidene)-2-(phenylmethyl)-3a,4,6,7,8,9,9a,9b-octahydropyrrolo[3,4-a]indolizin-4-yl]benzenecarboximidamide Openeye Name: 4-[(3aR,4S,9aR,9bS)-2-benzyl-1,3-dioxo-3a,4,6,7,8,9,9a,9b-octahydropyrrolo[3,4-a]indolizin-4-yl]benzamidine CAS Name: 4-[(3aR,4S,9aR,9bS)-1,3-dioxo-2-(phenylmethyl)-3a,4,6,7,8,9,9a,9b-octahydropyrrolo[3,4-a]indolizin-4-yl]benzenecarboximidamide IUPAC Name: 4-[(3aR,4S,9aR,9bS)-2-benzyl-1,3-dioxo-3a,4,6,7,8,9,9a,9b-octahydropyrrolo[3,4-a]indolizin-4-yl]benzenecarboximidamide Traditional Name: 4-[(3aR,4S,9aR,9bS)-2-benzyl-1,3-diketo-3a,4,6,7,8,9,9a,9b-octahydropyrrol[3,4-a]indolizin-4-yl]benzamidine Formula: C24H26N4O2 MolecularWeight: 402.48884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN2C(C1)C3C(C2C4=CC=C(C=C4)C(=N)N)C(=O)N(C3=O)CC5=CC=CC=C5

Isomeric SMILES

C1CCN2[C@H](C1)[C@@H]3[C@H]([C@H]2C4=CC=C(C=C4)C(=N)N)C(=O)N(C3=O)CC5=CC=CC=C5

InChI

InChI=1S/C24H26N4O2/c25-22(26)17-11-9-16(10-12-17)21-20-19(18-8-4-5-13-27(18)21)23(29)28(24(20)30)14-15-6-2-1-3-7-15/h1-3,6-7,9-12,18-21H,4-5,8,13-14H2,(H3,25,26)/t18-,19-,20-,21-/m1/s1