N-[4-(3-cyanopyridin-4-yl)-2-ethyl-phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[4-(3-cyanopyridin-4-yl)-2-ethyl-phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[4-(3-cyano-4-pyridyl)-2-ethyl-phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[4-(3-cyano-4-pyridinyl)-2-ethylphenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[4-(3-cyanopyridin-4-yl)-2-ethylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[4-(3-cyano-4-pyridyl)-2-ethyl-phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C23H19N3O3 MolecularWeight: 385.41526

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C2=C(C=NC=C2)C#N)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CCC1=C(C=CC(=C1)C2=C(C=NC=C2)C#N)NC(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C23H19N3O3/c1-2-15-11-16(18-9-10-25-13-17(18)12-24)7-8-19(15)26-23(27)22-14-28-20-5-3-4-6-21(20)29-22/h3-11,13,22H,2,14H2,1H3,(H,26,27)