4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-nitro-benzamide

Systemtic Name: 4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-nitro-benzamide Openeye Name: 4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-nitro-benzamide CAS Name: 4-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-3-nitrobenzamide IUPAC Name: 4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-nitrobenzamide Traditional Name: 4-[4-(3-chlorobenzyl)piperazino]-3-nitro-benzamide Formula: C18H19ClN4O3 MolecularWeight: 374.82146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN4O3/c19-15-3-1-2-13(10-15)12-21-6-8-22(9-7-21)16-5-4-14(18(20)24)11-17(16)23(25)26/h1-5,10-11H,6-9,12H2,(H2,20,24)