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

Systemtic Name: 5-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)benzamide Openeye Name: 5-[(2-chloro-4-nitro-benzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 5-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-oxolanylmethyl)benzamide IUPAC Name: 5-[(2-chloro-4-nitrobenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)benzamide Traditional Name: 5-[(2-chloro-4-nitro-benzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(tetrahydrofurfuryl)benzamide Formula: C28H27ClN4O5 MolecularWeight: 534.99078

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=C(C=CC(=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CC(OC1)CNC(=O)C2=C(C=CC(=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H27ClN4O5/c29-25-15-21(33(36)37)8-9-23(25)28(35)31-20-7-10-26(32-12-11-18-4-1-2-5-19(18)17-32)24(14-20)27(34)30-16-22-6-3-13-38-22/h1-2,4-5,7-10,14-15,22H,3,6,11-13,16-17H2,(H,30,34)(H,31,35)