tert-butyl 4-methyl-3-oxidanylidene-2-(phenylmethyl)-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-methyl-3-oxidanylidene-2-(phenylmethyl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 2-benzyl-4-methyl-3-oxo-1,4-diazepane-1-carboxylate CAS Name: 4-methyl-3-oxo-2-(phenylmethyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-benzyl-4-methyl-3-oxo-1,4-diazepane-1-carboxylate Traditional Name: 2-benzyl-3-keto-4-methyl-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C18H26N2O3 MolecularWeight: 318.41064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(C(=O)C1CC2=CC=CC=C2)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(C(=O)C1CC2=CC=CC=C2)C

InChI

InChI=1S/C18H26N2O3/c1-18(2,3)23-17(22)20-12-8-11-19(4)16(21)15(20)13-14-9-6-5-7-10-14/h5-7,9-10,15H,8,11-13H2,1-4H3