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

Systemtic Name: N-(2-cyclopropylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-methyl-3-nitro-benzamide Openeye Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methyl-3-nitro-benzamide CAS Name: N-[2-[cyclopropyl(oxo)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methyl-3-nitrobenzamide Traditional Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methyl-3-nitro-benzamide Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC3=C(CCN(C3)C(=O)C4CC4)C=C2

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC3=C(CCN(C3)C(=O)C4CC4)C=C2

InChI

InChI=1S/C21H21N3O4/c1-13-18(3-2-4-19(13)24(27)28)20(25)22-17-8-7-14-9-10-23(12-16(14)11-17)21(26)15-5-6-15/h2-4,7-8,11,15H,5-6,9-10,12H2,1H3,(H,22,25)