N-[2-(pyrimidin-2-ylamino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[2-(pyrimidin-2-ylamino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[2-(pyrimidin-2-ylamino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[2-(2-pyrimidinylamino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[2-(pyrimidin-2-ylamino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[2-(2-pyrimidylamino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O3/c21-15(17-7-8-20-16-18-5-1-6-19-16)12-3-4-13-14(11-12)23-10-2-9-22-13/h1,3-6,11H,2,7-10H2,(H,17,21)(H,18,19,20)