N-(4-carbamimidoylphenyl)-N-methyl-4-phenoxy-1-piperidin-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(4-carbamimidoylphenyl)-N-methyl-4-phenoxy-1-piperidin-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-carbamimidoylphenyl)-N-methyl-4-phenoxy-1-(piperidine-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(4-carbamimidoylphenyl)-N-methyl-1-[oxo(2-piperidinyl)methyl]-4-phenoxy-2-pyrrolidinecarboxamide IUPAC Name: N-(4-carbamimidoylphenyl)-N-methyl-4-phenoxy-1-(piperidine-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-amidinophenyl)-N-methyl-4-phenoxy-1-pipecoloyl-pyrrolidine-2-carboxamide Formula: C25H31N5O3 MolecularWeight: 449.54534

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=N)N)C(=O)C2CC(CN2C(=O)C3CCCCN3)OC4=CC=CC=C4

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=N)N)C(=O)C2CC(CN2C(=O)C3CCCCN3)OC4=CC=CC=C4

InChI

InChI=1S/C25H31N5O3/c1-29(18-12-10-17(11-13-18)23(26)27)25(32)22-15-20(33-19-7-3-2-4-8-19)16-30(22)24(31)21-9-5-6-14-28-21/h2-4,7-8,10-13,20-22,28H,5-6,9,14-16H2,1H3,(H3,26,27)