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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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