2-[4-(4-carbamimidoylphenyl)-1,3-bis(oxidanylidene)-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizin-2-yl]-3-phenyl-propanamide

Systemtic Name: 2-[4-(4-carbamimidoylphenyl)-1,3-bis(oxidanylidene)-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizin-2-yl]-3-phenyl-propanamide Openeye Name: 2-[4-(4-carbamimidoylphenyl)-1,3-dioxo-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizin-2-yl]-3-phenyl-propanamide CAS Name: 2-[4-(4-carbamimidoylphenyl)-1,3-dioxo-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizin-2-yl]-3-phenylpropanamide IUPAC Name: 2-[4-(4-carbamimidoylphenyl)-1,3-dioxo-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizin-2-yl]-3-phenylpropanamide Traditional Name: 2-[4-(4-amidinophenyl)-1,3-diketo-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizin-2-yl]-3-phenyl-propionamide Formula: C25H27N5O3 MolecularWeight: 445.51358

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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)C(CC5=CC=CC=C5)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C25H27N5O3/c26-22(27)16-10-8-15(9-11-16)21-20-19(17-7-4-12-29(17)21)24(32)30(25(20)33)18(23(28)31)13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17-21H,4,7,12-13H2,(H3,26,27)(H2,28,31)