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

Systemtic Name: 5-chloranyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: 5-chloro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: 5-chloro-N-[2-[4-(1-pyrazolyl)phenyl]ethyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: 5-chloro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: 5-chloro-N-[2-(4-pyrazol-1-ylphenyl)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=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Cl)C(=O)NCCC3=CC=C(C=C3)N4C=CC=N4

InChI

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