4-[3,5-bis(chloranyl)pyridin-4-yl]-N-(2-tert-butyl-6-methyl-phenyl)piperazine-1-carboxamide

Systemtic Name: 4-[3,5-bis(chloranyl)pyridin-4-yl]-N-(2-tert-butyl-6-methyl-phenyl)piperazine-1-carboxamide Openeye Name: N-(2-tert-butyl-6-methyl-phenyl)-4-(3,5-dichloro-4-pyridyl)piperazine-1-carboxamide CAS Name: N-(2-tert-butyl-6-methylphenyl)-4-(3,5-dichloro-4-pyridinyl)-1-piperazinecarboxamide IUPAC Name: N-(2-tert-butyl-6-methylphenyl)-4-(3,5-dichloropyridin-4-yl)piperazine-1-carboxamide Traditional Name: N-(2-tert-butyl-6-methyl-phenyl)-4-(3,5-dichloro-4-pyridyl)piperazine-1-carboxamide Formula: C21H26Cl2N4O MolecularWeight: 421.36334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)N2CCN(CC2)C3=C(C=NC=C3Cl)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)N2CCN(CC2)C3=C(C=NC=C3Cl)Cl

InChI

InChI=1S/C21H26Cl2N4O/c1-14-6-5-7-15(21(2,3)4)18(14)25-20(28)27-10-8-26(9-11-27)19-16(22)12-24-13-17(19)23/h5-7,12-13H,8-11H2,1-4H3,(H,25,28)