2-methyl-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-nitro-benzamide

Systemtic Name: 2-methyl-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-nitro-benzamide Openeye Name: 2-methyl-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-nitro-benzamide CAS Name: 2-methyl-N-[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-nitrobenzamide IUPAC Name: 2-methyl-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-nitrobenzamide Traditional Name: N-(2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl)-2-methyl-3-nitro-benzamide Formula: C21H23N3O4 MolecularWeight: 381.42502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC3=C(CCN(C3)C(=O)C(C)C)C=C2

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC3=C(CCN(C3)C(=O)C(C)C)C=C2

InChI

InChI=1S/C21H23N3O4/c1-13(2)21(26)23-10-9-15-7-8-17(11-16(15)12-23)22-20(25)18-5-4-6-19(14(18)3)24(27)28/h4-8,11,13H,9-10,12H2,1-3H3,(H,22,25)