4-[2-(6-azanylhexanoylamino)-3-methyl-pentanoyl]-N-(3-chlorophenyl)piperazine-1-carboxamide

Systemtic Name: 4-[2-(6-azanylhexanoylamino)-3-methyl-pentanoyl]-N-(3-chlorophenyl)piperazine-1-carboxamide Openeye Name: 4-[2-(6-aminohexanoylamino)-3-methyl-pentanoyl]-N-(3-chlorophenyl)piperazine-1-carboxamide CAS Name: 4-[2-[(6-amino-1-oxohexyl)amino]-3-methyl-1-oxopentyl]-N-(3-chlorophenyl)-1-piperazinecarboxamide IUPAC Name: 4-[2-(6-aminohexanoylamino)-3-methylpentanoyl]-N-(3-chlorophenyl)piperazine-1-carboxamide Traditional Name: 4-[2-(6-aminohexanoylamino)-3-methyl-pentanoyl]-N-(3-chlorophenyl)piperazine-1-carboxamide Formula: C23H36ClN5O3 MolecularWeight: 466.01664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36ClN5O3/c1-3-17(2)21(27-20(30)10-5-4-6-11-25)22(31)28-12-14-29(15-13-28)23(32)26-19-9-7-8-18(24)16-19/h7-9,16-17,21H,3-6,10-15,25H2,1-2H3,(H,26,32)(H,27,30)