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

Systemtic Name: 3-ethyl-5-methyl-1,2,3,6-tetrahydro-1,4-diazepin-7-one; 2-octadecylpyrrolidine Openeye Name: 3-ethyl-5-methyl-1,2,3,6-tetrahydro-1,4-diazepin-7-one; 2-octadecylpyrrolidine CAS Name: 3-ethyl-5-methyl-1,2,3,6-tetrahydro-1,4-diazepin-7-one; 2-octadecylpyrrolidine IUPAC Name: 3-ethyl-5-methyl-1,2,3,6-tetrahydro-1,4-diazepin-7-one; 2-octadecylpyrrolidine Traditional Name: 3-ethyl-5-methyl-1,2,3,6-tetrahydro-1,4-diazepin-7-one; 2-stearylpyrrolidine Formula: C30H59N3O MolecularWeight: 477.80896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1CCCN1.CCC1CNC(=O)CC(=N1)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1CCCN1.CCC1CNC(=O)CC(=N1)C

InChI

InChI=1S/C22H45N.C8H14N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21-23-22;1-3-7-5-9-8(11)4-6(2)10-7/h22-23H,2-21H2,1H3;7H,3-5H2,1-2H3,(H,9,11)