N-(2-adamantyl)-4-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]-3-nitro-benzamide

Systemtic Name: N-(2-adamantyl)-4-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]-3-nitro-benzamide Openeye Name: N-(2-adamantyl)-4-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-3-nitro-benzamide CAS Name: N-(2-adamantyl)-4-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]-3-nitrobenzamide IUPAC Name: N-(2-adamantyl)-4-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-3-nitrobenzamide Traditional Name: N-(2-adamantyl)-3-nitro-4-(4-veratroylpiperazino)benzamide Formula: C30H36N4O6 MolecularWeight: 548.63004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4C5CC6CC(C5)CC4C6)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4C5CC6CC(C5)CC4C6)[N+](=O)[O-])OC

InChI

InChI=1S/C30H36N4O6/c1-39-26-6-4-21(17-27(26)40-2)30(36)33-9-7-32(8-10-33)24-5-3-20(16-25(24)34(37)38)29(35)31-28-22-12-18-11-19(14-22)15-23(28)13-18/h3-6,16-19,22-23,28H,7-15H2,1-2H3,(H,31,35)