N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-nitro-benzamide

Systemtic Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-nitro-benzamide Openeye Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-nitro-benzamide CAS Name: N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-4-nitrobenzamide IUPAC Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-nitrobenzamide Traditional Name: N-[4-[4-(2-methoxyphenyl)piperazino]butyl]-4-nitro-benzamide Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O4/c1-30-21-7-3-2-6-20(21)25-16-14-24(15-17-25)13-5-4-12-23-22(27)18-8-10-19(11-9-18)26(28)29/h2-3,6-11H,4-5,12-17H2,1H3,(H,23,27)