tert-butyl 4-(3-oxidanylidene-3-phenyl-propyl)-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(3-oxidanylidene-3-phenyl-propyl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(3-oxo-3-phenyl-propyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(3-oxo-3-phenylpropyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-oxo-3-phenylpropyl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(3-keto-3-phenyl-propyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C19H28N2O3 MolecularWeight: 332.43722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)CCC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)CCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H28N2O3/c1-19(2,3)24-18(23)21-12-7-11-20(14-15-21)13-10-17(22)16-8-5-4-6-9-16/h4-6,8-9H,7,10-15H2,1-3H3