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

Systemtic Name: N-[2-(pyrazin-2-ylamino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[2-(pyrazin-2-ylamino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[2-(2-pyrazinylamino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[2-(pyrazin-2-ylamino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[2-(pyrazin-2-ylamino)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=CN=C3)OC1

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O3/c21-16(20-7-6-19-15-11-17-4-5-18-15)12-2-3-13-14(10-12)23-9-1-8-22-13/h2-5,10-11H,1,6-9H2,(H,18,19)(H,20,21)