4-(dimethylamino)-3-nitro-N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]benzamide

Systemtic Name: 4-(dimethylamino)-3-nitro-N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]benzamide Openeye Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(dimethylamino)-3-nitro-benzamide CAS Name: 4-(dimethylamino)-3-nitro-N-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]benzamide IUPAC Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(dimethylamino)-3-nitrobenzamide Traditional Name: N-[3-(4-benzylpiperazino)propyl]-4-(dimethylamino)-3-nitro-benzamide Formula: C23H31N5O3 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)NCCCN2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)NCCCN2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H31N5O3/c1-25(2)21-10-9-20(17-22(21)28(30)31)23(29)24-11-6-12-26-13-15-27(16-14-26)18-19-7-4-3-5-8-19/h3-5,7-10,17H,6,11-16,18H2,1-2H3,(H,24,29)