tert-butyl N-[3-oxidanylidene-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propyl]carbamate

Systemtic Name: tert-butyl N-[3-oxidanylidene-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propyl]carbamate Openeye Name: tert-butyl N-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxo-propyl]carbamate CAS Name: N-[3-oxo-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxopropyl]carbamate Traditional Name: N-[3-(4-benzyl-1,4-diazepan-1-yl)-3-keto-propyl]carbamic acid tert-butyl ester Formula: C20H31N3O3 MolecularWeight: 361.47844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(=O)N1CCCN(CC1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(=O)N1CCCN(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C20H31N3O3/c1-20(2,3)26-19(25)21-11-10-18(24)23-13-7-12-22(14-15-23)16-17-8-5-4-6-9-17/h4-6,8-9H,7,10-16H2,1-3H3,(H,21,25)