N-(3-tert-butyl-5-methoxy-2-oxidanyl-phenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide hydrochloride

Systemtic Name: N-(3-tert-butyl-5-methoxy-2-oxidanyl-phenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide hydrochloride Openeye Name: N-(3-tert-butyl-2-hydroxy-5-methoxy-phenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide hydrochloride CAS Name: N-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-4-(4-nitrophenyl)-1-piperazinecarboxamide hydrochloride IUPAC Name: N-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide hydrochloride Traditional Name: N-(3-tert-butyl-2-hydroxy-5-methoxy-phenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide hydrochloride Formula: C22H29ClN4O5 MolecularWeight: 464.94246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])OC.Cl

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])OC.Cl

InChI

InChI=1S/C22H28N4O5.ClH/c1-22(2,3)18-13-17(31-4)14-19(20(18)27)23-21(28)25-11-9-24(10-12-25)15-5-7-16(8-6-15)26(29)30;/h5-8,13-14,27H,9-12H2,1-4H3,(H,23,28);1H