N-(4-azanylcyclohexyl)-4-[4-[2-(4-methoxyphenyl)ethanoyl]piperazin-1-yl]-3-nitro-benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-[4-[2-(4-methoxyphenyl)ethanoyl]piperazin-1-yl]-3-nitro-benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-3-nitro-benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[2-(4-methoxyphenyl)-1-oxoethyl]-1-piperazinyl]-3-nitrobenzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-3-nitrobenzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-[2-(4-methoxyphenyl)acetyl]piperazino]-3-nitro-benzamide Formula: C26H33N5O5 MolecularWeight: 495.57072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)[N+](=O)[O-]

InChI

InChI=1S/C26H33N5O5/c1-36-22-9-2-18(3-10-22)16-25(32)30-14-12-29(13-15-30)23-11-4-19(17-24(23)31(34)35)26(33)28-21-7-5-20(27)6-8-21/h2-4,9-11,17,20-21H,5-8,12-16,27H2,1H3,(H,28,33)