N-(2-methylpropyl)-1-(3-nitrophenyl)isoquinoline-3-carboxamide

Systemtic Name: N-(2-methylpropyl)-1-(3-nitrophenyl)isoquinoline-3-carboxamide Openeye Name: N-isobutyl-1-(3-nitrophenyl)isoquinoline-3-carboxamide CAS Name: N-(2-methylpropyl)-1-(3-nitrophenyl)-3-isoquinolinecarboxamide IUPAC Name: N-(2-methylpropyl)-1-(3-nitrophenyl)isoquinoline-3-carboxamide Traditional Name: N-isobutyl-1-(3-nitrophenyl)isoquinoline-3-carboxamide Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC2=CC=CC=C2C(=N1)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CNC(=O)C1=CC2=CC=CC=C2C(=N1)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O3/c1-13(2)12-21-20(24)18-11-14-6-3-4-9-17(14)19(22-18)15-7-5-8-16(10-15)23(25)26/h3-11,13H,12H2,1-2H3,(H,21,24)