6-[3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-2H-1,2-oxazol-5-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-2H-1,2-oxazol-5-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[3-(4-benzylpiperazine-1-carbonyl)-2H-isoxazol-5-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[3-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-2H-isoxazol-5-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[3-(4-benzylpiperazine-1-carbonyl)-2H-1,2-oxazol-5-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[3-(4-benzylpiperazine-1-carbonyl)-3-isoxazolin-5-ylidene]cyclohexa-2,4-dien-1-one Formula: C21H21N3O3 MolecularWeight: 363.40974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=C4C=CC=CC4=O)ON3

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=C4C=CC=CC4=O)ON3

InChI

InChI=1S/C21H21N3O3/c25-19-9-5-4-8-17(19)20-14-18(22-27-20)21(26)24-12-10-23(11-13-24)15-16-6-2-1-3-7-16/h1-9,14,22H,10-13,15H2