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

Systemtic Name: N-[3-(butan-2-ylcarbamoyl)-4-piperidin-1-yl-phenyl]-4-chloranyl-3-nitro-benzamide Openeye Name: 4-chloro-3-nitro-N-[4-(1-piperidyl)-3-(sec-butylcarbamoyl)phenyl]benzamide CAS Name: N-[3-[(butan-2-ylamino)-oxomethyl]-4-(1-piperidinyl)phenyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[3-(butan-2-ylcarbamoyl)-4-piperidin-1-ylphenyl]-4-chloro-3-nitrobenzamide Traditional Name: 4-chloro-3-nitro-N-[4-piperidino-3-(sec-butylcarbamoyl)phenyl]benzamide Formula: C23H27ClN4O4 MolecularWeight: 458.93788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN4O4/c1-3-15(2)25-23(30)18-14-17(8-10-20(18)27-11-5-4-6-12-27)26-22(29)16-7-9-19(24)21(13-16)28(31)32/h7-10,13-15H,3-6,11-12H2,1-2H3,(H,25,30)(H,26,29)