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

Systemtic Name: 3-nitro-4-[[4-(phenylmethyl)piperazin-1-yl]methyl]benzamide Openeye Name: 4-[(4-benzylpiperazin-1-yl)methyl]-3-nitro-benzamide CAS Name: 3-nitro-4-[[4-(phenylmethyl)-1-piperazinyl]methyl]benzamide IUPAC Name: 4-[(4-benzylpiperazin-1-yl)methyl]-3-nitrobenzamide Traditional Name: 4-[(4-benzylpiperazino)methyl]-3-nitro-benzamide Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O3/c20-19(24)16-6-7-17(18(12-16)23(25)26)14-22-10-8-21(9-11-22)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H2,20,24)