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

Systemtic Name: 2-[(3-carbamimidoylphenyl)amino]-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-phenyl-ethanamide Openeye Name: 2-(3-carbamimidoylanilino)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-2-phenyl-acetamide CAS Name: 2-(3-carbamimidoylanilino)-N-[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-2-phenylacetamide IUPAC Name: 2-(3-carbamimidoylanilino)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide Traditional Name: 2-(3-amidinoanilino)-N-[2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl]-2-phenyl-acetamide Formula: C28H32N6O3 MolecularWeight: 500.59208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CNC(=O)C(C3=CC=CC=C3)NC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CNC(=O)C(C3=CC=CC=C3)NC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C28H32N6O3/c1-37-24-12-10-23(11-13-24)33-14-16-34(17-15-33)25(35)19-31-28(36)26(20-6-3-2-4-7-20)32-22-9-5-8-21(18-22)27(29)30/h2-13,18,26,32H,14-17,19H2,1H3,(H3,29,30)(H,31,36)