4-[[4-(4-methoxyphenyl)piperazin-1-yl]methylidene]-2-(4-methylphenyl)isoquinoline-1,3-dione

Systemtic Name: 4-[[4-(4-methoxyphenyl)piperazin-1-yl]methylidene]-2-(4-methylphenyl)isoquinoline-1,3-dione Openeye Name: 4-[[4-(4-methoxyphenyl)piperazin-1-yl]methylene]-2-(p-tolyl)isoquinoline-1,3-dione CAS Name: 4-[[4-(4-methoxyphenyl)-1-piperazinyl]methylidene]-2-(4-methylphenyl)isoquinoline-1,3-dione IUPAC Name: 4-[[4-(4-methoxyphenyl)piperazin-1-yl]methylidene]-2-(4-methylphenyl)isoquinoline-1,3-dione Traditional Name: 4-[[4-(4-methoxyphenyl)piperazino]methylene]-2-(p-tolyl)isoquinoline-1,3-quinone Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CN4CCN(CC4)C5=CC=C(C=C5)OC)C2=O

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CN4CCN(CC4)C5=CC=C(C=C5)OC)C2=O

InChI

InChI=1S/C28H27N3O3/c1-20-7-9-22(10-8-20)31-27(32)25-6-4-3-5-24(25)26(28(31)33)19-29-15-17-30(18-16-29)21-11-13-23(34-2)14-12-21/h3-14,19H,15-18H2,1-2H3