N-[5-(butanoylamino)-2-chloranyl-phenyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[5-(butanoylamino)-2-chloranyl-phenyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[5-(butanoylamino)-2-chloro-phenyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[2-chloro-5-(1-oxobutylamino)phenyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[5-(butanoylamino)-2-chlorophenyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-(5-butyramido-2-chloro-phenyl)-3-nitro-4-piperidino-benzamide Formula: C22H25ClN4O4 MolecularWeight: 444.9113

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H25ClN4O4/c1-2-6-21(28)24-16-8-9-17(23)18(14-16)25-22(29)15-7-10-19(20(13-15)27(30)31)26-11-4-3-5-12-26/h7-10,13-14H,2-6,11-12H2,1H3,(H,24,28)(H,25,29)