tert-butyl 4-[4-[1-(4-ethylphenyl)propan-2-yl-propyl-amino]butyl]-5-oxidanylidene-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[1-(4-ethylphenyl)propan-2-yl-propyl-amino]butyl]-5-oxidanylidene-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[4-[[2-(4-ethylphenyl)-1-methyl-ethyl]-propyl-amino]butyl]-5-oxo-1,4-diazepane-1-carboxylate CAS Name: 4-[4-[1-(4-ethylphenyl)propan-2-yl-propylamino]butyl]-5-oxo-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[1-(4-ethylphenyl)propan-2-yl-propylamino]butyl]-5-oxo-1,4-diazepane-1-carboxylate Traditional Name: 4-[4-[[2-(4-ethylphenyl)-1-methyl-ethyl]-propyl-amino]butyl]-5-keto-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C28H47N3O3 MolecularWeight: 473.69108

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCCN1CCN(CCC1=O)C(=O)OC(C)(C)C)C(C)CC2=CC=C(C=C2)CC

Isomeric SMILES

CCCN(CCCCN1CCN(CCC1=O)C(=O)OC(C)(C)C)C(C)CC2=CC=C(C=C2)CC

InChI

InChI=1S/C28H47N3O3/c1-7-16-29(23(3)22-25-13-11-24(8-2)12-14-25)17-9-10-18-30-20-21-31(19-15-26(30)32)27(33)34-28(4,5)6/h11-14,23H,7-10,15-22H2,1-6H3