methyl 4-[2-(4-tert-butylphenyl)selanylphenyl]-1,4-diazepane-1-carboxylate

Systemtic Name: methyl 4-[2-(4-tert-butylphenyl)selanylphenyl]-1,4-diazepane-1-carboxylate Openeye Name: methyl 4-[2-(4-tert-butylphenyl)selanylphenyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[2-[(4-tert-butylphenyl)seleno]phenyl]-1,4-diazepane-1-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-(4-tert-butylphenyl)selanylphenyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[2-[(4-tert-butylphenyl)seleno]phenyl]-1,4-diazepane-1-carboxylic acid methyl ester Formula: C23H30N2O2Se MolecularWeight: 445.4565

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)[Se]C2=CC=CC=C2N3CCCN(CC3)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[Se]C2=CC=CC=C2N3CCCN(CC3)C(=O)OC

InChI

InChI=1S/C23H30N2O2Se/c1-23(2,3)18-10-12-19(13-11-18)28-21-9-6-5-8-20(21)24-14-7-15-25(17-16-24)22(26)27-4/h5-6,8-13H,7,14-17H2,1-4H3