methyl 6-(3-hexoxypyrazin-2-yl)-2,3,4,7-tetrahydroazepine-1-carboxylate

Systemtic Name: methyl 6-(3-hexoxypyrazin-2-yl)-2,3,4,7-tetrahydroazepine-1-carboxylate Openeye Name: methyl 6-(3-hexoxypyrazin-2-yl)-2,3,4,7-tetrahydroazepine-1-carboxylate CAS Name: 6-(3-hexoxy-2-pyrazinyl)-2,3,4,7-tetrahydroazepine-1-carboxylic acid methyl ester IUPAC Name: methyl 6-(3-hexoxypyrazin-2-yl)-2,3,4,7-tetrahydroazepine-1-carboxylate Traditional Name: 6-(3-hexoxypyrazin-2-yl)-2,3,4,7-tetrahydroazepine-1-carboxylic acid methyl ester Formula: C18H27N3O3 MolecularWeight: 333.42528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=NC=CN=C1C2=CCCCN(C2)C(=O)OC

Isomeric SMILES

CCCCCCOC1=NC=CN=C1C2=CCCCN(C2)C(=O)OC

InChI

InChI=1S/C18H27N3O3/c1-3-4-5-8-13-24-17-16(19-10-11-20-17)15-9-6-7-12-21(14-15)18(22)23-2/h9-11H,3-8,12-14H2,1-2H3