2-[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]-N-(2-methyl-3-nitro-phenyl)propanamide

Systemtic Name: 2-[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]-N-(2-methyl-3-nitro-phenyl)propanamide Openeye Name: 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(2-methyl-3-nitro-phenyl)propanamide CAS Name: 2-[4-[(2,4-dichlorophenyl)-oxomethyl]-1-piperazinyl]-N-(2-methyl-3-nitrophenyl)propanamide IUPAC Name: 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(2-methyl-3-nitrophenyl)propanamide Traditional Name: 2-[4-(2,4-dichlorobenzoyl)piperazino]-N-(2-methyl-3-nitro-phenyl)propionamide Formula: C21H22Cl2N4O4 MolecularWeight: 465.32978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C(C)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C(C)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H22Cl2N4O4/c1-13-18(4-3-5-19(13)27(30)31)24-20(28)14(2)25-8-10-26(11-9-25)21(29)16-7-6-15(22)12-17(16)23/h3-7,12,14H,8-11H2,1-2H3,(H,24,28)