3-[4-(phenylmethyl)piperazin-1-yl]-2H-1-benzoxepin-5-one

Systemtic Name: 3-[4-(phenylmethyl)piperazin-1-yl]-2H-1-benzoxepin-5-one Openeye Name: 3-(4-benzylpiperazin-1-yl)-2H-1-benzoxepin-5-one CAS Name: 3-[4-(phenylmethyl)-1-piperazinyl]-2H-1-benzoxepin-5-one IUPAC Name: 3-(4-benzylpiperazin-1-yl)-2H-1-benzoxepin-5-one Traditional Name: 3-(4-benzylpiperazino)-2H-1-benzoxepin-5-one Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC(=O)C4=CC=CC=C4OC3

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC(=O)C4=CC=CC=C4OC3

InChI

InChI=1S/C21H22N2O2/c24-20-14-18(16-25-21-9-5-4-8-19(20)21)23-12-10-22(11-13-23)15-17-6-2-1-3-7-17/h1-9,14H,10-13,15-16H2