N-(4-azanylcyclohexyl)-4-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]-3-nitro-benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]-3-nitro-benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-nitro-benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazinyl]-3-nitrobenzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-nitrobenzamide Traditional Name: N-(4-aminocyclohexyl)-4-(4-m-anisoylpiperazino)-3-nitro-benzamide Formula: C25H31N5O5 MolecularWeight: 481.54414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5O5/c1-35-21-4-2-3-18(15-21)25(32)29-13-11-28(12-14-29)22-10-5-17(16-23(22)30(33)34)24(31)27-20-8-6-19(26)7-9-20/h2-5,10,15-16,19-20H,6-9,11-14,26H2,1H3,(H,27,31)