4-methoxy-3-nitro-N-[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]benzamide

Systemtic Name: 4-methoxy-3-nitro-N-[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]benzamide Openeye Name: 4-methoxy-3-nitro-N-[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]benzamide CAS Name: 4-methoxy-3-nitro-N-[4-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]phenyl]benzamide IUPAC Name: 4-methoxy-3-nitro-N-[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]benzamide Traditional Name: 4-methoxy-3-nitro-N-[4-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]benzamide Formula: C27H26N4O5 MolecularWeight: 486.51914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C=CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H26N4O5/c1-36-25-13-8-21(19-24(25)31(34)35)27(33)28-22-9-11-23(12-10-22)29-15-17-30(18-16-29)26(32)14-7-20-5-3-2-4-6-20/h2-14,19H,15-18H2,1H3,(H,28,33)/b14-7+