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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=O)N2CCN(CC2)C3=CC(=C(C=C3)Cl)Cl)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=O)N2CCN(CC2)C3=CC(=C(C=C3)Cl)Cl)C

InChI

InChI=1S/C22H27Cl2N3O/c1-3-4-5-17-6-9-21(16(2)14-17)25-22(28)27-12-10-26(11-13-27)18-7-8-19(23)20(24)15-18/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,25,28)