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

Systemtic Name: N-[2-(5-carbamimidoyl-2-ethyl-phenoxy)ethyl]-1-pyridin-4-yl-piperidine-4-carboxamide Openeye Name: N-[2-(5-carbamimidoyl-2-ethyl-phenoxy)ethyl]-1-(4-pyridyl)piperidine-4-carboxamide CAS Name: N-[2-(5-carbamimidoyl-2-ethylphenoxy)ethyl]-1-pyridin-4-yl-4-piperidinecarboxamide IUPAC Name: N-[2-(5-carbamimidoyl-2-ethylphenoxy)ethyl]-1-pyridin-4-ylpiperidine-4-carboxamide Traditional Name: N-[2-(5-amidino-2-ethyl-phenoxy)ethyl]-1-(4-pyridyl)isonipecotamide Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O2/c1-2-16-3-4-18(21(23)24)15-20(16)29-14-11-26-22(28)17-7-12-27(13-8-17)19-5-9-25-10-6-19/h3-6,9-10,15,17H,2,7-8,11-14H2,1H3,(H3,23,24)(H,26,28)