tert-butyl N-[1-(1,4-diazepan-1-yl)-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-(1,4-diazepan-1-yl)-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-[(4-benzyloxyphenyl)methyl]-2-(1,4-diazepan-1-yl)-2-oxo-ethyl]carbamate CAS Name: N-[1-(1,4-diazepan-1-yl)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(1,4-diazepan-1-yl)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate Traditional Name: N-[1-(4-benzoxybenzyl)-2-(1,4-diazepan-1-yl)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C26H35N3O4 MolecularWeight: 453.5738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)N3CCCNCC3

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)N3CCCNCC3

InChI

InChI=1S/C26H35N3O4/c1-26(2,3)33-25(31)28-23(24(30)29-16-7-14-27-15-17-29)18-20-10-12-22(13-11-20)32-19-21-8-5-4-6-9-21/h4-6,8-13,23,27H,7,14-19H2,1-3H3,(H,28,31)