N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-(6-nitropyridin-3-yl)benzamide

Systemtic Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-(6-nitropyridin-3-yl)benzamide Openeye Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-(6-nitro-3-pyridyl)benzamide CAS Name: N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-4-(6-nitro-3-pyridinyl)benzamide IUPAC Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-(6-nitropyridin-3-yl)benzamide Traditional Name: N-[4-[4-(2-methoxyphenyl)piperazino]butyl]-4-(6-nitro-3-pyridyl)benzamide Formula: C27H31N5O4 MolecularWeight: 489.56614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=CC=C(C=C3)C4=CN=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=CC=C(C=C3)C4=CN=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H31N5O4/c1-36-25-7-3-2-6-24(25)31-18-16-30(17-19-31)15-5-4-14-28-27(33)22-10-8-21(9-11-22)23-12-13-26(29-20-23)32(34)35/h2-3,6-13,20H,4-5,14-19H2,1H3,(H,28,33)