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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29ClN4O4/c1-2-7-22(27-24(31)20-11-12-21(26)23(18-20)30(33)34)25(32)29-16-14-28(15-17-29)13-6-10-19-8-4-3-5-9-19/h3-6,8-12,18,22H,2,7,13-17H2,1H3,(H,27,31)/b10-6+