N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-[4-(4-butyrylpiperazino)-3-chloro-phenyl]-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C27H34ClN5O4 MolecularWeight: 528.04296

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCC(CC4)C)[N+](=O)[O-])Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCC(CC4)C)[N+](=O)[O-])Cl

InChI

InChI=1S/C27H34ClN5O4/c1-3-4-26(34)32-15-13-31(14-16-32)23-8-6-21(18-22(23)28)29-27(35)20-5-7-24(25(17-20)33(36)37)30-11-9-19(2)10-12-30/h5-8,17-19H,3-4,9-16H2,1-2H3,(H,29,35)