3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-4-(phenylmethyl)piperazin-2-one

Systemtic Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-4-(phenylmethyl)piperazin-2-one Openeye Name: 4-benzyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]piperazin-2-one CAS Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-(phenylmethyl)-2-piperazinone IUPAC Name: 4-benzyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperazin-2-one Traditional Name: 4-benzyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]piperazin-2-one Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CC3C(=O)NCCN3CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CC3C(=O)NCCN3CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O2/c26-21(25-12-10-18-8-4-5-9-19(18)16-25)14-20-22(27)23-11-13-24(20)15-17-6-2-1-3-7-17/h1-9,20H,10-16H2,(H,23,27)