5-chloranyl-N-[(1-phenylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: 5-chloranyl-N-[(1-phenylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: 5-chloro-N-[(1-phenylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: 5-chloro-N-[(1-phenyl-4-pyrazolyl)methyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: 5-chloro-N-[(1-phenylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: 5-chloro-N-[(1-phenylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C19H16ClN3O3 MolecularWeight: 369.80164

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Cl)C(=O)NCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Cl)C(=O)NCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C19H16ClN3O3/c20-16-8-14(9-17-18(16)26-7-6-25-17)19(24)21-10-13-11-22-23(12-13)15-4-2-1-3-5-15/h1-5,8-9,11-12H,6-7,10H2,(H,21,24)