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

Systemtic Name: N-[2-(5-carbamimidoyl-2-methyl-phenoxy)ethyl]-1-pyridin-4-yl-piperidine-4-carboxamide Openeye Name: N-[2-(5-carbamimidoyl-2-methyl-phenoxy)ethyl]-1-(4-pyridyl)piperidine-4-carboxamide CAS Name: N-[2-(5-carbamimidoyl-2-methylphenoxy)ethyl]-1-pyridin-4-yl-4-piperidinecarboxamide IUPAC Name: N-[2-(5-carbamimidoyl-2-methylphenoxy)ethyl]-1-pyridin-4-ylpiperidine-4-carboxamide Traditional Name: N-[2-(5-amidino-2-methyl-phenoxy)ethyl]-1-(4-pyridyl)isonipecotamide Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=N)N)OCCNC(=O)C2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=N)N)OCCNC(=O)C2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C21H27N5O2/c1-15-2-3-17(20(22)23)14-19(15)28-13-10-25-21(27)16-6-11-26(12-7-16)18-4-8-24-9-5-18/h2-5,8-9,14,16H,6-7,10-13H2,1H3,(H3,22,23)(H,25,27)