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

Systemtic Name: 2-[(3-carbamimidoylphenyl)amino]-N-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-2-phenyl-ethanamide Openeye Name: 2-(3-carbamimidoylanilino)-N-[2-oxo-2-[4-(4-pyridylmethyl)piperazin-1-yl]ethyl]-2-phenyl-acetamide CAS Name: 2-(3-carbamimidoylanilino)-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1-piperazinyl]ethyl]-2-phenylacetamide IUPAC Name: 2-(3-carbamimidoylanilino)-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-2-phenylacetamide Traditional Name: 2-(3-amidinoanilino)-N-[2-keto-2-[4-(4-pyridylmethyl)piperazino]ethyl]-2-phenyl-acetamide Formula: C27H31N7O2 MolecularWeight: 485.58074

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=NC=C2)C(=O)CNC(=O)C(C3=CC=CC=C3)NC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

C1CN(CCN1CC2=CC=NC=C2)C(=O)CNC(=O)C(C3=CC=CC=C3)NC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C27H31N7O2/c28-26(29)22-7-4-8-23(17-22)32-25(21-5-2-1-3-6-21)27(36)31-18-24(35)34-15-13-33(14-16-34)19-20-9-11-30-12-10-20/h1-12,17,25,32H,13-16,18-19H2,(H3,28,29)(H,31,36)