6-chloranyl-N-[2-(pyrazin-2-ylamino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-[2-(pyrazin-2-ylamino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[2-(pyrazin-2-ylamino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[2-(2-pyrazinylamino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[2-(pyrazin-2-ylamino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[2-(pyrazin-2-ylamino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C16H17ClN4O3 MolecularWeight: 348.78418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)NCCNC3=NC=CN=C3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)NCCNC3=NC=CN=C3)Cl)OC1

InChI

InChI=1S/C16H17ClN4O3/c17-12-8-11(9-13-15(12)24-7-1-6-23-13)16(22)21-5-4-20-14-10-18-2-3-19-14/h2-3,8-10H,1,4-7H2,(H,19,20)(H,21,22)