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

Systemtic Name: 5-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-N-(1-phenylethyl)-2-piperidin-1-yl-benzamide Openeye Name: 5-[(2-chloro-4-nitro-benzoyl)amino]-N-(1-phenylethyl)-2-(1-piperidyl)benzamide CAS Name: 5-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-N-(1-phenylethyl)-2-(1-piperidinyl)benzamide IUPAC Name: 5-[(2-chloro-4-nitrobenzoyl)amino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide Traditional Name: 5-[(2-chloro-4-nitro-benzoyl)amino]-N-(1-phenylethyl)-2-piperidino-benzamide Formula: C27H27ClN4O4 MolecularWeight: 506.98068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)N4CCCCC4

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)N4CCCCC4

InChI

InChI=1S/C27H27ClN4O4/c1-18(19-8-4-2-5-9-19)29-27(34)23-16-20(10-13-25(23)31-14-6-3-7-15-31)30-26(33)22-12-11-21(32(35)36)17-24(22)28/h2,4-5,8-13,16-18H,3,6-7,14-15H2,1H3,(H,29,34)(H,30,33)