6-chloranyl-N-pyrimidin-2-yl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-pyrimidin-2-yl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-pyrimidin-2-yl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-(2-pyrimidinyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-pyrimidin-2-yl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-(2-pyrimidyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C14H12ClN3O3 MolecularWeight: 305.71638

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)NC3=NC=CC=N3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)NC3=NC=CC=N3)Cl)OC1

InChI

InChI=1S/C14H12ClN3O3/c15-10-7-9(8-11-12(10)21-6-2-5-20-11)13(19)18-14-16-3-1-4-17-14/h1,3-4,7-8H,2,5-6H2,(H,16,17,18,19)