N-[5-chloranyl-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-3-methyl-4-nitro-benzamide

Systemtic Name: N-[5-chloranyl-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[5-chloro-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-3-methyl-4-nitro-benzamide CAS Name: N-[5-chloro-2-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]phenyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[5-chloro-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[5-chloro-2-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]-3-methyl-4-nitro-benzamide Formula: C27H25ClN4O4 MolecularWeight: 504.9648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)Cl)N3CCN(CC3)C(=O)C=CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)Cl)N3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H25ClN4O4/c1-19-17-21(8-10-24(19)32(35)36)27(34)29-23-18-22(28)9-11-25(23)30-13-15-31(16-14-30)26(33)12-7-20-5-3-2-4-6-20/h2-12,17-18H,13-16H2,1H3,(H,29,34)/b12-7+