N-butan-2-yl-5-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide

Systemtic Name: N-butan-2-yl-5-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide Openeye Name: 5-[(2-chloro-4-nitro-benzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-5-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-2-[4-(2-methoxyphenyl)-1-piperazinyl]benzamide IUPAC Name: N-butan-2-yl-5-[(2-chloro-4-nitrobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide Traditional Name: 5-[(2-chloro-4-nitro-benzoyl)amino]-2-[4-(2-methoxyphenyl)piperazino]-N-sec-butyl-benzamide Formula: C29H32ClN5O5 MolecularWeight: 566.04788

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)N3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C29H32ClN5O5/c1-4-19(2)31-29(37)23-17-20(32-28(36)22-11-10-21(35(38)39)18-24(22)30)9-12-25(23)33-13-15-34(16-14-33)26-7-5-6-8-27(26)40-3/h5-12,17-19H,4,13-16H2,1-3H3,(H,31,37)(H,32,36)