1-[2-(4-carbamimidoylphenoxy)ethanoyl]-N-methyl-N-piperidin-4-yl-pyrrolidine-2-carboxamide

Systemtic Name: 1-[2-(4-carbamimidoylphenoxy)ethanoyl]-N-methyl-N-piperidin-4-yl-pyrrolidine-2-carboxamide Openeye Name: 1-[2-(4-carbamimidoylphenoxy)acetyl]-N-methyl-N-(4-piperidyl)pyrrolidine-2-carboxamide CAS Name: 1-[2-(4-carbamimidoylphenoxy)-1-oxoethyl]-N-methyl-N-(4-piperidinyl)-2-pyrrolidinecarboxamide IUPAC Name: 1-[2-(4-carbamimidoylphenoxy)acetyl]-N-methyl-N-piperidin-4-ylpyrrolidine-2-carboxamide Traditional Name: 1-[2-(4-amidinophenoxy)acetyl]-N-methyl-N-(4-piperidyl)pyrrolidine-2-carboxamide Formula: C20H29N5O3 MolecularWeight: 387.47596

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCNCC1)C(=O)C2CCCN2C(=O)COC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CN(C1CCNCC1)C(=O)C2CCCN2C(=O)COC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H29N5O3/c1-24(15-8-10-23-11-9-15)20(27)17-3-2-12-25(17)18(26)13-28-16-6-4-14(5-7-16)19(21)22/h4-7,15,17,23H,2-3,8-13H2,1H3,(H3,21,22)