2-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]-N-(2,3-dimethyl-6-nitro-phenyl)propanamide

Systemtic Name: 2-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]-N-(2,3-dimethyl-6-nitro-phenyl)propanamide Openeye Name: 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(2,3-dimethyl-6-nitro-phenyl)propanamide CAS Name: 2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]-N-(2,3-dimethyl-6-nitrophenyl)propanamide IUPAC Name: 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(2,3-dimethyl-6-nitrophenyl)propanamide Traditional Name: 2-[4-(4-chlorobenzoyl)piperazino]-N-(2,3-dimethyl-6-nitro-phenyl)propionamide Formula: C22H25ClN4O4 MolecularWeight: 444.9113

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4O4/c1-14-4-9-19(27(30)31)20(15(14)2)24-21(28)16(3)25-10-12-26(13-11-25)22(29)17-5-7-18(23)8-6-17/h4-9,16H,10-13H2,1-3H3,(H,24,28)