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

Systemtic Name: 5-chloranyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: 5-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: 5-chloro-N-[2-(1-phenyl-4-pyrazolyl)ethyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: 5-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: 5-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C20H18ClN3O3 MolecularWeight: 383.82822

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Cl)C(=O)NCCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Cl)C(=O)NCCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H18ClN3O3/c21-17-10-15(11-18-19(17)27-9-8-26-18)20(25)22-7-6-14-12-23-24(13-14)16-4-2-1-3-5-16/h1-5,10-13H,6-9H2,(H,22,25)