N-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[4-(2,5-dimethyl-1-pyrrolyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C21H20N2O3/c1-14-3-4-15(2)23(14)18-8-6-17(7-9-18)22-21(24)16-5-10-19-20(13-16)26-12-11-25-19/h3-10,13H,11-12H2,1-2H3,(H,22,24)