2-ethylhexyl 4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxylate

Systemtic Name: 2-ethylhexyl 4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxylate Openeye Name: 2-ethylhexyl 4-(4-pyridylmethyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxylic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(4-pyridylmethyl)-1,4-diazepane-1-carboxylic acid 2-ethylhexyl ester Formula: C20H33N3O2 MolecularWeight: 347.49492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)N1CCCN(CC1)CC2=CC=NC=C2

Isomeric SMILES

CCCCC(CC)COC(=O)N1CCCN(CC1)CC2=CC=NC=C2

InChI

InChI=1S/C20H33N3O2/c1-3-5-7-18(4-2)17-25-20(24)23-13-6-12-22(14-15-23)16-19-8-10-21-11-9-19/h8-11,18H,3-7,12-17H2,1-2H3