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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(3-nitrophenyl)carbonylamino]-N-(oxolan-2-ylmethyl)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(3-nitrobenzoyl)amino]-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[(3-nitrophenyl)-oxomethyl]amino]-N-(2-oxolanylmethyl)benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(3-nitrobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(3-nitrobenzoyl)amino]-N-(tetrahydrofurfuryl)benzamide Formula: C28H28N4O5 MolecularWeight: 500.54572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28N4O5/c33-27(20-7-3-8-23(15-20)32(35)36)30-22-10-11-26(31-13-12-19-5-1-2-6-21(19)18-31)25(16-22)28(34)29-17-24-9-4-14-37-24/h1-3,5-8,10-11,15-16,24H,4,9,12-14,17-18H2,(H,29,34)(H,30,33)