5-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)benzamide

Systemtic Name: 5-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)benzamide Openeye Name: 5-[(2-chloro-4-nitro-benzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-isobutyl-benzamide CAS Name: 5-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)benzamide IUPAC Name: 5-[(2-chloro-4-nitrobenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)benzamide Traditional Name: 5-[(2-chloro-4-nitro-benzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-isobutyl-benzamide Formula: C27H27ClN4O4 MolecularWeight: 506.98068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=C(C=CC(=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(C)CNC(=O)C1=C(C=CC(=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C27H27ClN4O4/c1-17(2)15-29-26(33)23-13-20(30-27(34)22-9-8-21(32(35)36)14-24(22)28)7-10-25(23)31-12-11-18-5-3-4-6-19(18)16-31/h3-10,13-14,17H,11-12,15-16H2,1-2H3,(H,29,33)(H,30,34)