2-ethylhexyl 4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carboxylate

Systemtic Name: 2-ethylhexyl 4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carboxylate Openeye Name: 2-ethylhexyl 4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carboxylic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carboxylic acid 2-ethylhexyl ester Formula: C23H34N4O3 MolecularWeight: 414.54106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)N1CCCN(CC1)CC2=NOC(=N2)C3=CC=CC=C3

Isomeric SMILES

CCCCC(CC)COC(=O)N1CCCN(CC1)CC2=NOC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C23H34N4O3/c1-3-5-10-19(4-2)18-29-23(28)27-14-9-13-26(15-16-27)17-21-24-22(30-25-21)20-11-7-6-8-12-20/h6-8,11-12,19H,3-5,9-10,13-18H2,1-2H3