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

Systemtic Name: 4-[(4-butoxyphenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carboxamide Openeye Name: 4-[(4-butoxyphenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carboxamide CAS Name: 4-[(4-butoxyphenyl)methyl]-N-(3-nitrophenyl)-1-piperazinecarboxamide IUPAC Name: 4-[(4-butoxyphenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carboxamide Traditional Name: 4-(4-butoxybenzyl)-N-(3-nitrophenyl)piperazine-1-carboxamide Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O4/c1-2-3-15-30-21-9-7-18(8-10-21)17-24-11-13-25(14-12-24)22(27)23-19-5-4-6-20(16-19)26(28)29/h4-10,16H,2-3,11-15,17H2,1H3,(H,23,27)