2-ethylhexyl 4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane-1-carboxylate

Systemtic Name: 2-ethylhexyl 4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane-1-carboxylate Openeye Name: 2-ethylhexyl 4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepane-1-carboxylic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane-1-carboxylic acid 2-ethylhexyl ester Formula: C21H35N3O2 MolecularWeight: 361.5215

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)N1CCCN(CC1)CC2=CC=CC(=N2)C

Isomeric SMILES

CCCCC(CC)COC(=O)N1CCCN(CC1)CC2=CC=CC(=N2)C

InChI

InChI=1S/C21H35N3O2/c1-4-6-10-19(5-2)17-26-21(25)24-13-8-12-23(14-15-24)16-20-11-7-9-18(3)22-20/h7,9,11,19H,4-6,8,10,12-17H2,1-3H3