(E)-N-[4-[[2-(4-methylpiperazin-1-yl)-2-phenyl-ethanoyl]amino]-3-(phenylcarbonyl)phenyl]-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enamide

Systemtic Name: (E)-N-[4-[[2-(4-methylpiperazin-1-yl)-2-phenyl-ethanoyl]amino]-3-(phenylcarbonyl)phenyl]-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enamide Openeye Name: (E)-N-[3-benzoyl-4-[[2-(4-methylpiperazin-1-yl)-2-phenyl-acetyl]amino]phenyl]-3-[5-(4-nitrophenyl)-2-furyl]prop-2-enamide CAS Name: (E)-N-[3-benzoyl-4-[[2-(4-methyl-1-piperazinyl)-1-oxo-2-phenylethyl]amino]phenyl]-3-[5-(4-nitrophenyl)-2-furanyl]-2-propenamide IUPAC Name: (E)-N-[3-benzoyl-4-[[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]amino]phenyl]-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enamide Traditional Name: (E)-N-[3-benzoyl-4-[[2-(4-methylpiperazino)-2-phenyl-acetyl]amino]phenyl]-3-[5-(4-nitrophenyl)-2-furyl]acrylamide Formula: C39H35N5O6 MolecularWeight: 669.7251

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)NC(=O)C=CC4=CC=C(O4)C5=CC=C(C=C5)[N+](=O)[O-])C(=O)C6=CC=CC=C6

Isomeric SMILES

CN1CCN(CC1)C(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)NC(=O)/C=C/C4=CC=C(O4)C5=CC=C(C=C5)[N+](=O)[O-])C(=O)C6=CC=CC=C6

InChI

InChI=1S/C39H35N5O6/c1-42-22-24-43(25-23-42)37(28-8-4-2-5-9-28)39(47)41-34-19-14-30(26-33(34)38(46)29-10-6-3-7-11-29)40-36(45)21-18-32-17-20-35(50-32)27-12-15-31(16-13-27)44(48)49/h2-21,26,37H,22-25H2,1H3,(H,40,45)(H,41,47)/b21-18+