5-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-2-[4-(phenylmethyl)piperidin-1-yl]-N-propan-2-yl-benzamide

Systemtic Name: 5-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-2-[4-(phenylmethyl)piperidin-1-yl]-N-propan-2-yl-benzamide Openeye Name: 2-(4-benzyl-1-piperidyl)-5-[(2-chloro-4-nitro-benzoyl)amino]-N-isopropyl-benzamide CAS Name: 5-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-2-[4-(phenylmethyl)-1-piperidinyl]-N-propan-2-ylbenzamide IUPAC Name: 2-(4-benzylpiperidin-1-yl)-5-[(2-chloro-4-nitrobenzoyl)amino]-N-propan-2-ylbenzamide Traditional Name: 2-(4-benzylpiperidino)-5-[(2-chloro-4-nitro-benzoyl)amino]-N-isopropyl-benzamide Formula: C29H31ClN4O4 MolecularWeight: 535.03384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C29H31ClN4O4/c1-19(2)31-29(36)25-17-22(32-28(35)24-10-9-23(34(37)38)18-26(24)30)8-11-27(25)33-14-12-21(13-15-33)16-20-6-4-3-5-7-20/h3-11,17-19,21H,12-16H2,1-2H3,(H,31,36)(H,32,35)