3-ethyl-6-methyl-1,2,3,6-tetrahydro-1,4-diazepin-7-one; 5-octylpyrrolidin-2-one

Systemtic Name: 3-ethyl-6-methyl-1,2,3,6-tetrahydro-1,4-diazepin-7-one; 5-octylpyrrolidin-2-one Openeye Name: 3-ethyl-6-methyl-1,2,3,6-tetrahydro-1,4-diazepin-7-one; 5-octylpyrrolidin-2-one CAS Name: 3-ethyl-6-methyl-1,2,3,6-tetrahydro-1,4-diazepin-7-one; 5-octyl-2-pyrrolidinone IUPAC Name: 3-ethyl-6-methyl-1,2,3,6-tetrahydro-1,4-diazepin-7-one; 5-octylpyrrolidin-2-one Traditional Name: 3-ethyl-6-methyl-1,2,3,6-tetrahydro-1,4-diazepin-7-one; 5-octyl-2-pyrrolidone Formula: C20H37N3O2 MolecularWeight: 351.52668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(=O)N1.CCC1CNC(=O)C(C=N1)C

Isomeric SMILES

CCCCCCCCC1CCC(=O)N1.CCC1CNC(=O)C(C=N1)C

InChI

InChI=1S/C12H23NO.C8H14N2O/c1-2-3-4-5-6-7-8-11-9-10-12(14)13-11;1-3-7-5-10-8(11)6(2)4-9-7/h11H,2-10H2,1H3,(H,13,14);4,6-7H,3,5H2,1-2H3,(H,10,11)