O2-(azepan-1-yl) O1-[2-(2-methylphenyl)ethyl] ethanedioate; 1-methylpyrazin-2-one

Systemtic Name: O2-(azepan-1-yl) O1-[2-(2-methylphenyl)ethyl] ethanedioate; 1-methylpyrazin-2-one Openeye Name: O2-(azepan-1-yl) O1-[2-(o-tolyl)ethyl] oxalate; 1-methylpyrazin-2-one CAS Name: 1-methyl-2-pyrazinone; oxalic acid O2-(1-azepanyl) ester O1-[2-(2-methylphenyl)ethyl] ester IUPAC Name: 2-O-(azepan-1-yl) 1-O-[2-(2-methylphenyl)ethyl] oxalate; 1-methylpyrazin-2-one Traditional Name: 1-methylpyrazin-2-one; oxalic acid O2-(azepan-1-yl) ester O1-[2-(o-tolyl)ethyl] ester Formula: C22H29N3O5 MolecularWeight: 415.48276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCOC(=O)C(=O)ON2CCCCCC2.CN1C=CN=CC1=O

Isomeric SMILES

CC1=CC=CC=C1CCOC(=O)C(=O)ON2CCCCCC2.CN1C=CN=CC1=O

InChI

InChI=1S/C17H23NO4.C5H6N2O/c1-14-8-4-5-9-15(14)10-13-21-16(19)17(20)22-18-11-6-2-3-7-12-18;1-7-3-2-6-4-5(7)8/h4-5,8-9H,2-3,6-7,10-13H2,1H3;2-4H,1H3