4-[2-(6-azanylhexanoylamino)-3-phenyl-propanoyl]-N-(3,4-dichlorophenyl)-2-methyl-piperazine-1-carboxamide

Systemtic Name: 4-[2-(6-azanylhexanoylamino)-3-phenyl-propanoyl]-N-(3,4-dichlorophenyl)-2-methyl-piperazine-1-carboxamide Openeye Name: 4-[2-(6-aminohexanoylamino)-3-phenyl-propanoyl]-N-(3,4-dichlorophenyl)-2-methyl-piperazine-1-carboxamide CAS Name: 4-[2-[(6-amino-1-oxohexyl)amino]-1-oxo-3-phenylpropyl]-N-(3,4-dichlorophenyl)-2-methyl-1-piperazinecarboxamide IUPAC Name: 4-[2-(6-aminohexanoylamino)-3-phenylpropanoyl]-N-(3,4-dichlorophenyl)-2-methylpiperazine-1-carboxamide Traditional Name: 4-[2-(6-aminohexanoylamino)-3-phenyl-propanoyl]-N-(3,4-dichlorophenyl)-2-methyl-piperazine-1-carboxamide Formula: C27H35Cl2N5O3 MolecularWeight: 548.5045

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC2=CC(=C(C=C2)Cl)Cl)C(=O)C(CC3=CC=CC=C3)NC(=O)CCCCCN

Isomeric SMILES

CC1CN(CCN1C(=O)NC2=CC(=C(C=C2)Cl)Cl)C(=O)C(CC3=CC=CC=C3)NC(=O)CCCCCN

InChI

InChI=1S/C27H35Cl2N5O3/c1-19-18-33(14-15-34(19)27(37)31-21-11-12-22(28)23(29)17-21)26(36)24(16-20-8-4-2-5-9-20)32-25(35)10-6-3-7-13-30/h2,4-5,8-9,11-12,17,19,24H,3,6-7,10,13-16,18,30H2,1H3,(H,31,37)(H,32,35)