(3R)-N-[4-(pyridin-4-ylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3R)-N-[4-(pyridin-4-ylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3R)-N-[4-(4-pyridylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3R)-N-[4-[oxo-(pyridin-4-ylamino)methyl]phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3R)-N-[4-(pyridin-4-ylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3R)-N-[4-(4-pyridylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H17N3O4 MolecularWeight: 375.37738

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NC3=CC=C(C=C3)C(=O)NC4=CC=NC=C4

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)C(=O)NC3=CC=C(C=C3)C(=O)NC4=CC=NC=C4

InChI

InChI=1S/C21H17N3O4/c25-20(23-16-9-11-22-12-10-16)14-5-7-15(8-6-14)24-21(26)19-13-27-17-3-1-2-4-18(17)28-19/h1-12,19H,13H2,(H,24,26)(H,22,23,25)/t19-/m1/s1