2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-N-(2,5-dimethylphenyl)propanamide

Systemtic Name: 2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-N-(2,5-dimethylphenyl)propanamide Openeye Name: 2-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-N-(2,5-dimethylphenyl)propanamide CAS Name: 2-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-N-(2,5-dimethylphenyl)propanamide IUPAC Name: 2-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-N-(2,5-dimethylphenyl)propanamide Traditional Name: 2-[4-(4-chloro-2-nitro-phenyl)piperazino]-N-(2,5-dimethylphenyl)propionamide Formula: C21H25ClN4O3 MolecularWeight: 416.9012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O3/c1-14-4-5-15(2)18(12-14)23-21(27)16(3)24-8-10-25(11-9-24)19-7-6-17(22)13-20(19)26(28)29/h4-7,12-13,16H,8-11H2,1-3H3,(H,23,27)