N-(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl)-4-nitro-benzamide

Systemtic Name: N-(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl)-4-nitro-benzamide Openeye Name: N-(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl)-4-nitro-benzamide CAS Name: N-(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl)-4-nitrobenzamide IUPAC Name: N-(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl)-4-nitrobenzamide Traditional Name: N-(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl)-4-nitro-benzamide Formula: C17H23N3O3 MolecularWeight: 317.38282

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2C(C1)CCCC2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCC2C(C1)CCCC2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O3/c1-19-10-9-15-13(11-19)3-2-4-16(15)18-17(21)12-5-7-14(8-6-12)20(22)23/h5-8,13,15-16H,2-4,9-11H2,1H3,(H,18,21)