N-[2-[(4-carbamimidoylphenyl)amino]-5-ethyl-cyclohexa-1,5-dien-1-yl]cyclopentanecarboxamide

Systemtic Name: N-[2-[(4-carbamimidoylphenyl)amino]-5-ethyl-cyclohexa-1,5-dien-1-yl]cyclopentanecarboxamide Openeye Name: N-[2-(4-carbamimidoylanilino)-5-ethyl-cyclohexa-1,5-dien-1-yl]cyclopentanecarboxamide CAS Name: N-[2-(4-carbamimidoylanilino)-5-ethyl-1-cyclohexa-1,5-dienyl]cyclopentanecarboxamide IUPAC Name: N-[2-(4-carbamimidoylanilino)-5-ethylcyclohexa-1,5-dien-1-yl]cyclopentanecarboxamide Traditional Name: N-[2-(4-amidinoanilino)-5-ethyl-cyclohexa-1,5-dien-1-yl]cyclopentanecarboxamide Formula: C21H28N4O MolecularWeight: 352.47322

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(CC1)NC2=CC=C(C=C2)C(=N)N)NC(=O)C3CCCC3

Isomeric SMILES

CCC1=CC(=C(CC1)NC2=CC=C(C=C2)C(=N)N)NC(=O)C3CCCC3

InChI

InChI=1S/C21H28N4O/c1-2-14-7-12-18(24-17-10-8-15(9-11-17)20(22)23)19(13-14)25-21(26)16-5-3-4-6-16/h8-11,13,16,24H,2-7,12H2,1H3,(H3,22,23)(H,25,26)