(3S)-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3S)-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3S)-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3S)-N-[2-[(4-bromophenyl)methyl]-3-pyrazolyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3S)-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3S)-N-[2-(4-bromobenzyl)pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C19H16BrN3O3 MolecularWeight: 414.25264

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NC3=CC=NN3CC4=CC=C(C=C4)Br

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)C(=O)NC3=CC=NN3CC4=CC=C(C=C4)Br

InChI

InChI=1S/C19H16BrN3O3/c20-14-7-5-13(6-8-14)11-23-18(9-10-21-23)22-19(24)17-12-25-15-3-1-2-4-16(15)26-17/h1-10,17H,11-12H2,(H,22,24)/t17-/m0/s1