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

Systemtic Name: 2-[(3-carbamimidoylphenyl)amino]-N-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-phenyl-ethanamide Openeye Name: 2-(3-carbamimidoylanilino)-N-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]-2-phenyl-acetamide CAS Name: 2-(3-carbamimidoylanilino)-N-[2-[4-(2-nitrophenyl)-1-piperazinyl]-2-oxoethyl]-2-phenylacetamide IUPAC Name: 2-(3-carbamimidoylanilino)-N-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide Traditional Name: 2-(3-amidinoanilino)-N-[2-keto-2-[4-(2-nitrophenyl)piperazino]ethyl]-2-phenyl-acetamide Formula: C27H29N7O4 MolecularWeight: 515.56366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=O)CNC(=O)C(C3=CC=CC=C3)NC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=O)CNC(=O)C(C3=CC=CC=C3)NC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C27H29N7O4/c28-26(29)20-9-6-10-21(17-20)31-25(19-7-2-1-3-8-19)27(36)30-18-24(35)33-15-13-32(14-16-33)22-11-4-5-12-23(22)34(37)38/h1-12,17,25,31H,13-16,18H2,(H3,28,29)(H,30,36)