3-azido-1-(3,3-dimethyl-2-oxidanylidene-butyl)-5-phenyl-7-(phenylmethyl)azepan-2-one

Systemtic Name: 3-azido-1-(3,3-dimethyl-2-oxidanylidene-butyl)-5-phenyl-7-(phenylmethyl)azepan-2-one Openeye Name: 3-azido-7-benzyl-1-(3,3-dimethyl-2-oxo-butyl)-5-phenyl-azepan-2-one CAS Name: 3-azido-1-(3,3-dimethyl-2-oxobutyl)-5-phenyl-7-(phenylmethyl)-2-azepanone IUPAC Name: 3-azido-7-benzyl-1-(3,3-dimethyl-2-oxobutyl)-5-phenylazepan-2-one Traditional Name: 3-azido-7-benzyl-1-(2-keto-3,3-dimethyl-butyl)-5-phenyl-azepan-2-one Formula: C25H30N4O2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C(CC(CC(C1=O)N=[N+]=[N-])C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)CN1C(CC(CC(C1=O)N=[N+]=[N-])C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C25H30N4O2/c1-25(2,3)23(30)17-29-21(14-18-10-6-4-7-11-18)15-20(19-12-8-5-9-13-19)16-22(24(29)31)27-28-26/h4-13,20-22H,14-17H2,1-3H3