2-[4-(phenylmethyl)piperazin-1-yl]cyclohepta-2,4,6-trien-1-one

Systemtic Name: 2-[4-(phenylmethyl)piperazin-1-yl]cyclohepta-2,4,6-trien-1-one Openeye Name: 2-(4-benzylpiperazin-1-yl)cyclohepta-2,4,6-trien-1-one CAS Name: 2-[4-(phenylmethyl)-1-piperazinyl]-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-(4-benzylpiperazin-1-yl)cyclohepta-2,4,6-trien-1-one Traditional Name: 2-(4-benzylpiperazino)cyclohepta-2,4,6-trien-1-one Formula: C18H20N2O MolecularWeight: 280.3642

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=CC=CC3=O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=CC=CC3=O

InChI

InChI=1S/C18H20N2O/c21-18-10-6-2-5-9-17(18)20-13-11-19(12-14-20)15-16-7-3-1-4-8-16/h1-10H,11-15H2