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

Systemtic Name: N-(1-adamantyl)-4-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]-3-nitro-benzamide Openeye Name: N-(1-adamantyl)-4-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-3-nitro-benzamide CAS Name: N-(1-adamantyl)-4-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]-3-nitrobenzamide IUPAC Name: N-(1-adamantyl)-4-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-3-nitrobenzamide Traditional Name: N-(1-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)NC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-])OC

InChI

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