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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)NCCNC3=NC=CC=N3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)NCCNC3=NC=CC=N3)Cl)OC1

InChI

InChI=1S/C16H17ClN4O3/c17-12-9-11(10-13-14(12)24-8-2-7-23-13)15(22)18-5-6-21-16-19-3-1-4-20-16/h1,3-4,9-10H,2,5-8H2,(H,18,22)(H,19,20,21)