2-chloranyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-N-(2-methylpropyl)-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-N-(2-methylpropyl)-4-nitro-benzamide Openeye Name: 2-chloro-N-isobutyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-methylpropyl)-4-nitrobenzamide IUPAC Name: 2-chloro-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-methylpropyl)-4-nitrobenzamide Traditional Name: 2-chloro-N-isobutyl-N-[2-keto-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-nitro-benzamide Formula: C23H26ClN3O4 MolecularWeight: 443.92324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2CCN1C(=O)CN(CC(C)C)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1C2=CC=CC=C2CCN1C(=O)CN(CC(C)C)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H26ClN3O4/c1-15(2)13-25(23(29)20-9-8-18(27(30)31)12-21(20)24)14-22(28)26-11-10-17-6-4-5-7-19(17)16(26)3/h4-9,12,15-16H,10-11,13-14H2,1-3H3