N-(butylcarbamoyl)-2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]propanamide

Systemtic Name: N-(butylcarbamoyl)-2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]propanamide Openeye Name: N-(butylcarbamoyl)-2-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]propanamide CAS Name: N-[butylamino(oxo)methyl]-2-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]propanamide IUPAC Name: N-(butylcarbamoyl)-2-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]propanamide Traditional Name: N-(butylcarbamoyl)-2-[4-(4-chloro-2-nitro-phenyl)piperazino]propionamide Formula: C18H26ClN5O4 MolecularWeight: 411.88314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)C(C)N1CCN(CC1)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)NC(=O)C(C)N1CCN(CC1)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H26ClN5O4/c1-3-4-7-20-18(26)21-17(25)13(2)22-8-10-23(11-9-22)15-6-5-14(19)12-16(15)24(27)28/h5-6,12-13H,3-4,7-11H2,1-2H3,(H2,20,21,25,26)