N'-(4-tert-butylphenyl)-4-(3-chloranylpyridin-2-yl)-N-oxidanyl-piperazine-1-carboximidamide

Systemtic Name: N'-(4-tert-butylphenyl)-4-(3-chloranylpyridin-2-yl)-N-oxidanyl-piperazine-1-carboximidamide Openeye Name: N'-(4-tert-butylphenyl)-4-(3-chloro-2-pyridyl)-N-hydroxy-piperazine-1-carboxamidine CAS Name: N'-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)-N-hydroxy-1-piperazinecarboximidamide IUPAC Name: N'-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)-N-hydroxypiperazine-1-carboximidamide Traditional Name: N'-(4-tert-butylphenyl)-4-(3-chloro-2-pyridyl)-N-hydroxy-piperazine-1-carboxamidine Formula: C20H26ClN5O MolecularWeight: 387.90634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N=C(NO)N2CCN(CC2)C3=C(C=CC=N3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N=C(NO)N2CCN(CC2)C3=C(C=CC=N3)Cl

InChI

InChI=1S/C20H26ClN5O/c1-20(2,3)15-6-8-16(9-7-15)23-19(24-27)26-13-11-25(12-14-26)18-17(21)5-4-10-22-18/h4-10,27H,11-14H2,1-3H3,(H,23,24)