N-(4-butyl-2-methyl-phenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide

Systemtic Name: N-(4-butyl-2-methyl-phenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide Openeye Name: N-(4-butyl-2-methyl-phenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide CAS Name: N-(4-butyl-2-methylphenyl)-4-(4-nitrophenyl)-1-piperazinecarboxamide IUPAC Name: N-(4-butyl-2-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide Traditional Name: N-(4-butyl-2-methyl-phenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H28N4O3/c1-3-4-5-18-6-11-21(17(2)16-18)23-22(27)25-14-12-24(13-15-25)19-7-9-20(10-8-19)26(28)29/h6-11,16H,3-5,12-15H2,1-2H3,(H,23,27)