(E)-N-[1-(3-methyl-4-octanoyl-piperazin-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]-3-(4-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[1-(3-methyl-4-octanoyl-piperazin-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[1-benzyl-2-(3-methyl-4-octanoyl-piperazin-1-yl)-2-oxo-ethyl]-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[1-[3-methyl-4-(1-oxooctyl)-1-piperazinyl]-1-oxo-3-phenylpropan-2-yl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[1-(3-methyl-4-octanoylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[1-benzyl-2-(4-caprylyl-3-methyl-piperazino)-2-keto-ethyl]-3-(4-nitrophenyl)acrylamide Formula: C31H40N4O5 MolecularWeight: 548.6731

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1C)C(=O)C(CC2=CC=CC=C2)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1C)C(=O)C(CC2=CC=CC=C2)NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C31H40N4O5/c1-3-4-5-6-10-13-30(37)34-21-20-33(23-24(34)2)31(38)28(22-26-11-8-7-9-12-26)32-29(36)19-16-25-14-17-27(18-15-25)35(39)40/h7-9,11-12,14-19,24,28H,3-6,10,13,20-23H2,1-2H3,(H,32,36)/b19-16+