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

Systemtic Name: 3-nitro-N-[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]benzamide Openeye Name: 3-nitro-N-[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]benzamide CAS Name: 3-nitro-N-[4-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]phenyl]benzamide IUPAC Name: 3-nitro-N-[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]benzamide Traditional Name: 3-nitro-N-[4-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]benzamide Formula: C26H24N4O4 MolecularWeight: 456.49316

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H24N4O4/c31-25(14-9-20-5-2-1-3-6-20)29-17-15-28(16-18-29)23-12-10-22(11-13-23)27-26(32)21-7-4-8-24(19-21)30(33)34/h1-14,19H,15-18H2,(H,27,32)/b14-9+