2-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-4H-isoquinoline-1,3-dione

Systemtic Name: 2-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-[2-[4-(m-tolylmethyl)piperazin-1-yl]-2-oxo-ethyl]-4H-isoquinoline-1,3-dione CAS Name: 2-[2-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-2-oxoethyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-[2-keto-2-[4-(3-methylbenzyl)piperazino]ethyl]-4H-isoquinoline-1,3-quinone Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CN3C(=O)CC4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CN3C(=O)CC4=CC=CC=C4C3=O

InChI

InChI=1S/C23H25N3O3/c1-17-5-4-6-18(13-17)15-24-9-11-25(12-10-24)22(28)16-26-21(27)14-19-7-2-3-8-20(19)23(26)29/h2-8,13H,9-12,14-16H2,1H3