2-[(3-carbamimidoylphenyl)amino]-N-[2-oxidanylidene-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-2-phenyl-ethanamide

Systemtic Name: 2-[(3-carbamimidoylphenyl)amino]-N-[2-oxidanylidene-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-2-phenyl-ethanamide Openeye Name: 2-(3-carbamimidoylanilino)-N-[2-oxo-2-[4-(4-pyridyl)piperazin-1-yl]ethyl]-2-phenyl-acetamide CAS Name: 2-(3-carbamimidoylanilino)-N-[2-oxo-2-(4-pyridin-4-yl-1-piperazinyl)ethyl]-2-phenylacetamide IUPAC Name: 2-(3-carbamimidoylanilino)-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-2-phenylacetamide Traditional Name: 2-(3-amidinoanilino)-N-[2-keto-2-[4-(4-pyridyl)piperazino]ethyl]-2-phenyl-acetamide Formula: C26H29N7O2 MolecularWeight: 471.55416

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=NC=C2)C(=O)CNC(=O)C(C3=CC=CC=C3)NC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

C1CN(CCN1C2=CC=NC=C2)C(=O)CNC(=O)C(C3=CC=CC=C3)NC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C26H29N7O2/c27-25(28)20-7-4-8-21(17-20)31-24(19-5-2-1-3-6-19)26(35)30-18-23(34)33-15-13-32(14-16-33)22-9-11-29-12-10-22/h1-12,17,24,31H,13-16,18H2,(H3,27,28)(H,30,35)