N-[2-[5-carbamimidoyl-2-(3-oxidanylpropyl)phenoxy]ethyl]-1-pyridin-4-yl-piperidine-4-carboxamide

Systemtic Name: N-[2-[5-carbamimidoyl-2-(3-oxidanylpropyl)phenoxy]ethyl]-1-pyridin-4-yl-piperidine-4-carboxamide Openeye Name: N-[2-[5-carbamimidoyl-2-(3-hydroxypropyl)phenoxy]ethyl]-1-(4-pyridyl)piperidine-4-carboxamide CAS Name: N-[2-[5-carbamimidoyl-2-(3-hydroxypropyl)phenoxy]ethyl]-1-pyridin-4-yl-4-piperidinecarboxamide IUPAC Name: N-[2-[5-carbamimidoyl-2-(3-hydroxypropyl)phenoxy]ethyl]-1-pyridin-4-ylpiperidine-4-carboxamide Traditional Name: N-[2-[5-amidino-2-(3-hydroxypropyl)phenoxy]ethyl]-1-(4-pyridyl)isonipecotamide Formula: C23H31N5O3 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O3/c24-22(25)19-4-3-17(2-1-14-29)21(16-19)31-15-11-27-23(30)18-7-12-28(13-8-18)20-5-9-26-10-6-20/h3-6,9-10,16,18,29H,1-2,7-8,11-15H2,(H3,24,25)(H,27,30)