N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-butyl]-1-methyl-4-nitro-pyrrole-2-carboxamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-butyl]-1-methyl-4-nitro-pyrrole-2-carboxamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-butyl]-1-methyl-4-nitro-pyrrole-2-carboxamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-1-methyl-4-nitro-2-pyrrolecarboxamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-1-methyl-4-nitropyrrole-2-carboxamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-butyl]-1-methyl-4-nitro-pyrrole-2-carboxamide Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)C1=CC(=CN1C)[N+](=O)[O-])N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)C(CNC(=O)C1=CC(=CN1C)[N+](=O)[O-])N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H26N4O3/c1-14(2)19(23-9-8-15-6-4-5-7-16(15)12-23)11-21-20(25)18-10-17(24(26)27)13-22(18)3/h4-7,10,13-14,19H,8-9,11-12H2,1-3H3,(H,21,25)