3-[1-(4-carbamimidoylphenyl)-5-oxidanylidene-5-pyrrolidin-1-yl-pentyl]benzenecarboximidamide

Systemtic Name: 3-[1-(4-carbamimidoylphenyl)-5-oxidanylidene-5-pyrrolidin-1-yl-pentyl]benzenecarboximidamide Openeye Name: 3-[1-(4-carbamimidoylphenyl)-5-oxo-5-pyrrolidin-1-yl-pentyl]benzamidine CAS Name: 3-[1-(4-carbamimidoylphenyl)-5-oxo-5-(1-pyrrolidinyl)pentyl]benzenecarboximidamide IUPAC Name: 3-[1-(4-carbamimidoylphenyl)-5-oxo-5-pyrrolidin-1-ylpentyl]benzenecarboximidamide Traditional Name: 3-[1-(4-amidinophenyl)-5-keto-5-pyrrolidino-pentyl]benzamidine Formula: C23H29N5O MolecularWeight: 391.50926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCCC(C2=CC=C(C=C2)C(=N)N)C3=CC=CC(=C3)C(=N)N

Isomeric SMILES

C1CCN(C1)C(=O)CCCC(C2=CC=C(C=C2)C(=N)N)C3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C23H29N5O/c24-22(25)17-11-9-16(10-12-17)20(18-5-3-6-19(15-18)23(26)27)7-4-8-21(29)28-13-1-2-14-28/h3,5-6,9-12,15,20H,1-2,4,7-8,13-14H2,(H3,24,25)(H3,26,27)