N-[5-bromanyl-2-(3-methylbutyl)-7-nitro-3,4-dihydro-1H-isoquinolin-8-yl]ethanamide

Systemtic Name: N-[5-bromanyl-2-(3-methylbutyl)-7-nitro-3,4-dihydro-1H-isoquinolin-8-yl]ethanamide Openeye Name: N-(5-bromo-2-isopentyl-7-nitro-3,4-dihydro-1H-isoquinolin-8-yl)acetamide CAS Name: N-[5-bromo-2-(3-methylbutyl)-7-nitro-3,4-dihydro-1H-isoquinolin-8-yl]acetamide IUPAC Name: N-[5-bromo-2-(3-methylbutyl)-7-nitro-3,4-dihydro-1H-isoquinolin-8-yl]acetamide Traditional Name: N-(5-bromo-2-isoamyl-7-nitro-3,4-dihydro-1H-isoquinolin-8-yl)acetamide Formula: C16H22BrN3O3 MolecularWeight: 384.26818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1CCC2=C(C=C(C(=C2C1)NC(=O)C)[N+](=O)[O-])Br

Isomeric SMILES

CC(C)CCN1CCC2=C(C=C(C(=C2C1)NC(=O)C)[N+](=O)[O-])Br

InChI

InChI=1S/C16H22BrN3O3/c1-10(2)4-6-19-7-5-12-13(9-19)16(18-11(3)21)15(20(22)23)8-14(12)17/h8,10H,4-7,9H2,1-3H3,(H,18,21)