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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-2-methyl-3-nitro-benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-2-methyl-3-nitro-benzamide Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC(C)(C)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC(C)(C)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H25N3O3/c1-15-18(9-6-10-19(15)24(26)27)20(25)22-14-21(2,3)23-12-11-16-7-4-5-8-17(16)13-23/h4-10H,11-14H2,1-3H3,(H,22,25)