N-[4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[4-(4-chloro-3,5-dimethyl-1-pyrazolyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C20H18ClN3O3 MolecularWeight: 383.82822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCCO4)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCCO4)C)Cl

InChI

InChI=1S/C20H18ClN3O3/c1-12-19(21)13(2)24(23-12)16-6-4-15(5-7-16)22-20(25)14-3-8-17-18(11-14)27-10-9-26-17/h3-8,11H,9-10H2,1-2H3,(H,22,25)