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

Systemtic Name: 5-chloranyl-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: 5-chloro-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: 5-chloro-N-[2-[(4-ethylphenyl)methyl]-3-pyrazolyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: 5-chloro-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: 5-chloro-N-[2-(4-ethylbenzyl)pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)C3=CC4=C(C(=C3)Cl)OCCO4

Isomeric SMILES

CCC1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)C3=CC4=C(C(=C3)Cl)OCCO4

InChI

InChI=1S/C21H20ClN3O3/c1-2-14-3-5-15(6-4-14)13-25-19(7-8-23-25)24-21(26)16-11-17(22)20-18(12-16)27-9-10-28-20/h3-8,11-12H,2,9-10,13H2,1H3,(H,24,26)