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

Systemtic Name: 2-[2-(4-cyanophenyl)-5-phenyl-pyrrol-1-yl]-N-[N'-(3-oxidanylpropyl)carbamimidoyl]ethanamide Openeye Name: 2-[2-(4-cyanophenyl)-5-phenyl-pyrrol-1-yl]-N-[N'-(3-hydroxypropyl)carbamimidoyl]acetamide CAS Name: N-[amino(3-hydroxypropylimino)methyl]-2-[2-(4-cyanophenyl)-5-phenyl-1-pyrrolyl]acetamide IUPAC Name: 2-[2-(4-cyanophenyl)-5-phenylpyrrol-1-yl]-N-[N'-(3-hydroxypropyl)carbamimidoyl]acetamide Traditional Name: 2-[2-(4-cyanophenyl)-5-phenyl-pyrrol-1-yl]-N-[N'-(3-hydroxypropyl)amidino]acetamide Formula: C23H23N5O2 MolecularWeight: 401.46102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5O2/c24-15-17-7-9-19(10-8-17)21-12-11-20(18-5-2-1-3-6-18)28(21)16-22(30)27-23(25)26-13-4-14-29/h1-3,5-12,29H,4,13-14,16H2,(H3,25,26,27,30)