6-chloranyl-N-(3-pyrazin-2-yloxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-(3-pyrazin-2-yloxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-(3-pyrazin-2-yloxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[3-(2-pyrazinyloxy)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-(3-pyrazin-2-yloxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-(3-pyrazin-2-yloxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C20H16ClN3O4 MolecularWeight: 397.81174

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)NC3=CC(=CC=C3)OC4=NC=CN=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)NC3=CC(=CC=C3)OC4=NC=CN=C4)Cl)OC1

InChI

InChI=1S/C20H16ClN3O4/c21-16-9-13(10-17-19(16)27-8-2-7-26-17)20(25)24-14-3-1-4-15(11-14)28-18-12-22-5-6-23-18/h1,3-6,9-12H,2,7-8H2,(H,24,25)