3-[3-(4-methoxyphenyl)-3-oxidanylidene-1-phenyl-propyl]-1-phenyl-azepan-2-one

Systemtic Name: 3-[3-(4-methoxyphenyl)-3-oxidanylidene-1-phenyl-propyl]-1-phenyl-azepan-2-one Openeye Name: 3-[3-(4-methoxyphenyl)-3-oxo-1-phenyl-propyl]-1-phenyl-azepan-2-one CAS Name: 3-[3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]-1-phenyl-2-azepanone IUPAC Name: 3-[3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]-1-phenylazepan-2-one Traditional Name: 3-[3-keto-3-(4-methoxyphenyl)-1-phenyl-propyl]-1-phenyl-azepan-2-one Formula: C28H29NO3 MolecularWeight: 427.53476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CC(C2CCCCN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CC(C2CCCCN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H29NO3/c1-32-24-17-15-22(16-18-24)27(30)20-26(21-10-4-2-5-11-21)25-14-8-9-19-29(28(25)31)23-12-6-3-7-13-23/h2-7,10-13,15-18,25-26H,8-9,14,19-20H2,1H3