N-[4-[4-(4-tert-butylphenyl)carbonylpiperazin-1-yl]phenyl]-3,5-dinitro-benzamide

Systemtic Name: N-[4-[4-(4-tert-butylphenyl)carbonylpiperazin-1-yl]phenyl]-3,5-dinitro-benzamide Openeye Name: N-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]-3,5-dinitro-benzamide CAS Name: N-[4-[4-[(4-tert-butylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]-3,5-dinitrobenzamide Traditional Name: N-[4-[4-(4-tert-butylbenzoyl)piperazino]phenyl]-3,5-dinitro-benzamide Formula: C28H29N5O6 MolecularWeight: 531.55976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C28H29N5O6/c1-28(2,3)21-6-4-19(5-7-21)27(35)31-14-12-30(13-15-31)23-10-8-22(9-11-23)29-26(34)20-16-24(32(36)37)18-25(17-20)33(38)39/h4-11,16-18H,12-15H2,1-3H3,(H,29,34)