4-(azepan-2-ylidene)-2-[4-(phenylcarbonyl)phenyl]-1,3-oxazol-5-one

Systemtic Name: 4-(azepan-2-ylidene)-2-[4-(phenylcarbonyl)phenyl]-1,3-oxazol-5-one Openeye Name: 4-(azepan-2-ylidene)-2-(4-benzoylphenyl)oxazol-5-one CAS Name: 4-(2-azepanylidene)-2-(4-benzoylphenyl)-5-oxazolone IUPAC Name: 4-(azepan-2-ylidene)-2-(4-benzoylphenyl)-1,3-oxazol-5-one Traditional Name: 4-(azepan-2-ylidene)-2-(4-benzoylphenyl)-2-oxazolin-5-one Formula: C22H20N2O3 MolecularWeight: 360.4058

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C2C(=O)OC(=N2)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4)NCC1

Isomeric SMILES

C1CCC(=C2C(=O)OC(=N2)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4)NCC1

InChI

InChI=1S/C22H20N2O3/c25-20(15-7-3-1-4-8-15)16-10-12-17(13-11-16)21-24-19(22(26)27-21)18-9-5-2-6-14-23-18/h1,3-4,7-8,10-13,23H,2,5-6,9,14H2