N-[2-[5-carbamimidoyl-2-(hydroxymethyl)phenoxy]ethyl]-1-pyridin-4-yl-piperidine-4-carboxamide

Systemtic Name: N-[2-[5-carbamimidoyl-2-(hydroxymethyl)phenoxy]ethyl]-1-pyridin-4-yl-piperidine-4-carboxamide Openeye Name: N-[2-[5-carbamimidoyl-2-(hydroxymethyl)phenoxy]ethyl]-1-(4-pyridyl)piperidine-4-carboxamide CAS Name: N-[2-[5-carbamimidoyl-2-(hydroxymethyl)phenoxy]ethyl]-1-pyridin-4-yl-4-piperidinecarboxamide IUPAC Name: N-[2-[5-carbamimidoyl-2-(hydroxymethyl)phenoxy]ethyl]-1-pyridin-4-ylpiperidine-4-carboxamide Traditional Name: N-[2-(5-amidino-2-methylol-phenoxy)ethyl]-1-(4-pyridyl)isonipecotamide Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCOC2=C(C=CC(=C2)C(=N)N)CO)C3=CC=NC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NCCOC2=C(C=CC(=C2)C(=N)N)CO)C3=CC=NC=C3

InChI

InChI=1S/C21H27N5O3/c22-20(23)16-1-2-17(14-27)19(13-16)29-12-9-25-21(28)15-5-10-26(11-6-15)18-3-7-24-8-4-18/h1-4,7-8,13,15,27H,5-6,9-12,14H2,(H3,22,23)(H,25,28)