2-chloranyl-N-[(2S)-3-methyl-1-oxidanylidene-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-2-yl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[(2S)-3-methyl-1-oxidanylidene-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-2-yl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[(1S)-1-[4-[(E)-cinnamyl]piperazine-1-carbonyl]-2-methyl-propyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[(2S)-3-methyl-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]butan-2-yl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[(2S)-3-methyl-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-2-yl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[(1S)-1-[4-[(E)-cinnamyl]piperazine-1-carbonyl]-2-methyl-propyl]-4-nitro-benzamide Formula: C25H29ClN4O4 MolecularWeight: 484.97516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)CC=CC2=CC=CC=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H29ClN4O4/c1-18(2)23(27-24(31)21-11-10-20(30(33)34)17-22(21)26)25(32)29-15-13-28(14-16-29)12-6-9-19-7-4-3-5-8-19/h3-11,17-18,23H,12-16H2,1-2H3,(H,27,31)/b9-6+/t23-/m0/s1