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

Systemtic Name: N-[2-[5-carbamimidoyl-2-(3-oxidanylidenebutyl)phenoxy]ethyl]-1-pyridin-4-yl-piperidine-4-carboxamide Openeye Name: N-[2-[5-carbamimidoyl-2-(3-oxobutyl)phenoxy]ethyl]-1-(4-pyridyl)piperidine-4-carboxamide CAS Name: N-[2-[5-carbamimidoyl-2-(3-oxobutyl)phenoxy]ethyl]-1-pyridin-4-yl-4-piperidinecarboxamide IUPAC Name: N-[2-[5-carbamimidoyl-2-(3-oxobutyl)phenoxy]ethyl]-1-pyridin-4-ylpiperidine-4-carboxamide Traditional Name: N-[2-[5-amidino-2-(3-ketobutyl)phenoxy]ethyl]-1-(4-pyridyl)isonipecotamide Formula: C24H31N5O3 MolecularWeight: 437.53464

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=C(C=C(C=C1)C(=N)N)OCCNC(=O)C2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CC(=O)CCC1=C(C=C(C=C1)C(=N)N)OCCNC(=O)C2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C24H31N5O3/c1-17(30)2-3-18-4-5-20(23(25)26)16-22(18)32-15-12-28-24(31)19-8-13-29(14-9-19)21-6-10-27-11-7-21/h4-7,10-11,16,19H,2-3,8-9,12-15H2,1H3,(H3,25,26)(H,28,31)