6-methoxy-2-methyl-N-(3-nitropropanoyl)-4-phenyl-1H-isoquinoline-3-carboxamide

Systemtic Name: 6-methoxy-2-methyl-N-(3-nitropropanoyl)-4-phenyl-1H-isoquinoline-3-carboxamide Openeye Name: 6-methoxy-2-methyl-N-(3-nitropropanoyl)-4-phenyl-1H-isoquinoline-3-carboxamide CAS Name: 6-methoxy-2-methyl-N-(3-nitro-1-oxopropyl)-4-phenyl-1H-isoquinoline-3-carboxamide IUPAC Name: 6-methoxy-2-methyl-N-(3-nitropropanoyl)-4-phenyl-1H-isoquinoline-3-carboxamide Traditional Name: 6-methoxy-2-methyl-N-(3-nitropropanoyl)-4-phenyl-1H-isoquinoline-3-carboxamide Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=C(C=C2)OC)C(=C1C(=O)NC(=O)CC[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CN1CC2=C(C=C(C=C2)OC)C(=C1C(=O)NC(=O)CC[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O5/c1-23-13-15-8-9-16(29-2)12-17(15)19(14-6-4-3-5-7-14)20(23)21(26)22-18(25)10-11-24(27)28/h3-9,12H,10-11,13H2,1-2H3,(H,22,25,26)