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

Systemtic Name: N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-4-nitro-benzamide Openeye Name: N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-4-nitro-benzamide CAS Name: N-[4-[4-(2,4-dimethoxyphenyl)-1-piperazinyl]butyl]-4-nitrobenzamide IUPAC Name: N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-4-nitrobenzamide Traditional Name: N-[4-[4-(2,4-dimethoxyphenyl)piperazino]butyl]-4-nitro-benzamide Formula: C23H30N4O5 MolecularWeight: 442.5081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O5/c1-31-20-9-10-21(22(17-20)32-2)26-15-13-25(14-16-26)12-4-3-11-24-23(28)18-5-7-19(8-6-18)27(29)30/h5-10,17H,3-4,11-16H2,1-2H3,(H,24,28)