4-[2-(decanoylamino)-3-methyl-pentanoyl]-N-(3,4-dichlorophenyl)piperazine-1-carboxamide

Systemtic Name: 4-[2-(decanoylamino)-3-methyl-pentanoyl]-N-(3,4-dichlorophenyl)piperazine-1-carboxamide Openeye Name: 4-[2-(decanoylamino)-3-methyl-pentanoyl]-N-(3,4-dichlorophenyl)piperazine-1-carboxamide CAS Name: N-(3,4-dichlorophenyl)-4-[3-methyl-1-oxo-2-(1-oxodecylamino)pentyl]-1-piperazinecarboxamide IUPAC Name: 4-[2-(decanoylamino)-3-methylpentanoyl]-N-(3,4-dichlorophenyl)piperazine-1-carboxamide Traditional Name: 4-[2-(caprylamino)-3-methyl-pentanoyl]-N-(3,4-dichlorophenyl)piperazine-1-carboxamide Formula: C27H42Cl2N4O3 MolecularWeight: 541.55338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC(C(C)CC)C(=O)N1CCN(CC1)C(=O)NC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CCCCCCCCCC(=O)NC(C(C)CC)C(=O)N1CCN(CC1)C(=O)NC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C27H42Cl2N4O3/c1-4-6-7-8-9-10-11-12-24(34)31-25(20(3)5-2)26(35)32-15-17-33(18-16-32)27(36)30-21-13-14-22(28)23(29)19-21/h13-14,19-20,25H,4-12,15-18H2,1-3H3,(H,30,36)(H,31,34)