N-(2-tert-butyl-6-methyl-phenyl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide

Systemtic Name: N-(2-tert-butyl-6-methyl-phenyl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide Openeye Name: N-(2-tert-butyl-6-methyl-phenyl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide CAS Name: N-(2-tert-butyl-6-methylphenyl)-4-(3,4-dichlorophenyl)-1-piperazinecarboxamide IUPAC Name: N-(2-tert-butyl-6-methylphenyl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide Traditional Name: N-(2-tert-butyl-6-methyl-phenyl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide Formula: C22H27Cl2N3O MolecularWeight: 420.37528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27Cl2N3O/c1-15-6-5-7-17(22(2,3)4)20(15)25-21(28)27-12-10-26(11-13-27)16-8-9-18(23)19(24)14-16/h5-9,14H,10-13H2,1-4H3,(H,25,28)