4-cyano-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-methyl-5-pyrrol-1-yl-furan-3-carboxamide

Systemtic Name: 4-cyano-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-methyl-5-pyrrol-1-yl-furan-3-carboxamide Openeye Name: 4-cyano-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-methyl-5-pyrrol-1-yl-furan-3-carboxamide CAS Name: 4-cyano-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-methyl-5-(1-pyrrolyl)-3-furancarboxamide IUPAC Name: 4-cyano-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide Traditional Name: 4-cyano-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-methyl-5-pyrrol-1-yl-3-furamide Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)NCC3COC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)NC[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H17N3O4/c1-13-18(15(10-21)20(26-13)23-8-4-5-9-23)19(24)22-11-14-12-25-16-6-2-3-7-17(16)27-14/h2-9,14H,11-12H2,1H3,(H,22,24)/t14-/m0/s1