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

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

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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)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCC(C)NC(=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/c1-3-17(2)29-27(34)23-14-20(30-26(33)22-10-9-21(32(35)36)15-24(22)28)8-11-25(23)31-13-12-18-6-4-5-7-19(18)16-31/h4-11,14-15,17H,3,12-13,16H2,1-2H3,(H,29,34)(H,30,33)