3-[5-(4-carbamimidoylphenyl)-1-oxidanylidene-1-pyrrol-1-yl-pentan-3-yl]benzenecarboximidamide

Systemtic Name: 3-[5-(4-carbamimidoylphenyl)-1-oxidanylidene-1-pyrrol-1-yl-pentan-3-yl]benzenecarboximidamide Openeye Name: 3-[1-[2-(4-carbamimidoylphenyl)ethyl]-3-oxo-3-pyrrol-1-yl-propyl]benzamidine CAS Name: 3-[5-(4-carbamimidoylphenyl)-1-oxo-1-(1-pyrrolyl)pentan-3-yl]benzenecarboximidamide IUPAC Name: 3-[5-(4-carbamimidoylphenyl)-1-oxo-1-pyrrol-1-ylpentan-3-yl]benzenecarboximidamide Traditional Name: 3-[1-[2-(4-amidinophenyl)ethyl]-3-keto-3-pyrrol-1-yl-propyl]benzamidine Formula: C23H25N5O MolecularWeight: 387.4775

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C(=O)CC(CCC2=CC=C(C=C2)C(=N)N)C3=CC=CC(=C3)C(=N)N

Isomeric SMILES

C1=CN(C=C1)C(=O)CC(CCC2=CC=C(C=C2)C(=N)N)C3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C23H25N5O/c24-22(25)17-9-6-16(7-10-17)8-11-19(15-21(29)28-12-1-2-13-28)18-4-3-5-20(14-18)23(26)27/h1-7,9-10,12-14,19H,8,11,15H2,(H3,24,25)(H3,26,27)