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

Systemtic Name: 4-chloranyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(oxolan-2-ylmethylcarbamoyl)phenyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(tetrahydrofuran-2-ylmethylcarbamoyl)phenyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[oxo-(2-oxolanylmethylamino)methyl]phenyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(oxolan-2-ylmethylcarbamoyl)phenyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(tetrahydrofurfurylcarbamoyl)phenyl]-3-nitro-benzamide Formula: C28H27ClN4O5 MolecularWeight: 534.99078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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