(E)-3-(4-nitrophenyl)-N-[4-(4-octanoylpiperazin-1-yl)phenyl]prop-2-enamide

Systemtic Name: (E)-3-(4-nitrophenyl)-N-[4-(4-octanoylpiperazin-1-yl)phenyl]prop-2-enamide Openeye Name: (E)-3-(4-nitrophenyl)-N-[4-(4-octanoylpiperazin-1-yl)phenyl]prop-2-enamide CAS Name: (E)-3-(4-nitrophenyl)-N-[4-[4-(1-oxooctyl)-1-piperazinyl]phenyl]-2-propenamide IUPAC Name: (E)-3-(4-nitrophenyl)-N-[4-(4-octanoylpiperazin-1-yl)phenyl]prop-2-enamide Traditional Name: (E)-N-[4-(4-caprylylpiperazino)phenyl]-3-(4-nitrophenyl)acrylamide Formula: C27H34N4O4 MolecularWeight: 478.58326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C27H34N4O4/c1-2-3-4-5-6-7-27(33)30-20-18-29(19-21-30)24-15-11-23(12-16-24)28-26(32)17-10-22-8-13-25(14-9-22)31(34)35/h8-17H,2-7,18-21H2,1H3,(H,28,32)/b17-10+