4-[(4-tert-butylphenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carboxamide

Systemtic Name: 4-[(4-tert-butylphenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carboxamide Openeye Name: 4-[(4-tert-butylphenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carboxamide CAS Name: 4-[(4-tert-butylphenyl)methyl]-N-(3-nitrophenyl)-1-piperazinecarboxamide IUPAC Name: 4-[(4-tert-butylphenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carboxamide Traditional Name: 4-(4-tert-butylbenzyl)-N-(3-nitrophenyl)piperazine-1-carboxamide Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O3/c1-22(2,3)18-9-7-17(8-10-18)16-24-11-13-25(14-12-24)21(27)23-19-5-4-6-20(15-19)26(28)29/h4-10,15H,11-14,16H2,1-3H3,(H,23,27)