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

Systemtic Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-nitro-benzamide Openeye Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-nitro-benzamide CAS Name: N-[3-[4-(4-methoxyphenyl)-1-piperazinyl]propyl]-4-nitrobenzamide IUPAC Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-nitrobenzamide Traditional Name: N-[3-[4-(4-methoxyphenyl)piperazino]propyl]-4-nitro-benzamide Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)CCCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)CCCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O4/c1-29-20-9-7-18(8-10-20)24-15-13-23(14-16-24)12-2-11-22-21(26)17-3-5-19(6-4-17)25(27)28/h3-10H,2,11-16H2,1H3,(H,22,26)