4-chloranyl-2-nitro-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]benzamide

Systemtic Name: 4-chloranyl-2-nitro-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]benzamide Openeye Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-chloro-2-nitro-benzamide CAS Name: 4-chloro-2-nitro-N-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]benzamide IUPAC Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-chloro-2-nitrobenzamide Traditional Name: N-[4-(4-benzylpiperazino)phenyl]-4-chloro-2-nitro-benzamide Formula: C24H23ClN4O3 MolecularWeight: 450.91742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C24H23ClN4O3/c25-19-6-11-22(23(16-19)29(31)32)24(30)26-20-7-9-21(10-8-20)28-14-12-27(13-15-28)17-18-4-2-1-3-5-18/h1-11,16H,12-15,17H2,(H,26,30)