N-[N'-(3-oxidanylpropyl)carbamimidoyl]-2-[2-(4-pentylphenyl)-5-phenyl-pyrrol-1-yl]ethanamide

Systemtic Name: N-[N'-(3-oxidanylpropyl)carbamimidoyl]-2-[2-(4-pentylphenyl)-5-phenyl-pyrrol-1-yl]ethanamide Openeye Name: N-[N'-(3-hydroxypropyl)carbamimidoyl]-2-[2-(4-pentylphenyl)-5-phenyl-pyrrol-1-yl]acetamide CAS Name: N-[amino(3-hydroxypropylimino)methyl]-2-[2-(4-pentylphenyl)-5-phenyl-1-pyrrolyl]acetamide IUPAC Name: N-[N'-(3-hydroxypropyl)carbamimidoyl]-2-[2-(4-pentylphenyl)-5-phenylpyrrol-1-yl]acetamide Traditional Name: 2-[2-(4-amylphenyl)-5-phenyl-pyrrol-1-yl]-N-[N'-(3-hydroxypropyl)amidino]acetamide Formula: C27H34N4O2 MolecularWeight: 446.58446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC=C(N2CC(=O)NC(=NCCCO)N)C3=CC=CC=C3

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC=C(N2CC(=O)NC(=NCCCO)N)C3=CC=CC=C3

InChI

InChI=1S/C27H34N4O2/c1-2-3-5-9-21-12-14-23(15-13-21)25-17-16-24(22-10-6-4-7-11-22)31(25)20-26(33)30-27(28)29-18-8-19-32/h4,6-7,10-17,32H,2-3,5,8-9,18-20H2,1H3,(H3,28,29,30,33)