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

Systemtic Name: (3S)-N-[4-(pyridin-2-ylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3S)-N-[4-(2-pyridylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3S)-N-[4-[oxo-(2-pyridinylamino)methyl]phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3S)-N-[4-(pyridin-2-ylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3S)-N-[4-(2-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=CC=N4

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)C(=O)NC3=CC=C(C=C3)C(=O)NC4=CC=CC=N4

InChI

InChI=1S/C21H17N3O4/c25-20(24-19-7-3-4-12-22-19)14-8-10-15(11-9-14)23-21(26)18-13-27-16-5-1-2-6-17(16)28-18/h1-12,18H,13H2,(H,23,26)(H,22,24,25)/t18-/m0/s1