1-[[4-(4-ethanoylphenyl)piperazin-1-yl]methyl]-5-methyl-indole-2,3-dione

Systemtic Name: 1-[[4-(4-ethanoylphenyl)piperazin-1-yl]methyl]-5-methyl-indole-2,3-dione Openeye Name: 1-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-5-methyl-indoline-2,3-dione CAS Name: 1-[[4-(4-acetylphenyl)-1-piperazinyl]methyl]-5-methylindole-2,3-dione IUPAC Name: 1-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-5-methylindole-2,3-dione Traditional Name: 1-[[4-(4-acetylphenyl)piperazino]methyl]-5-methyl-isatin Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C2=O)CN3CCN(CC3)C4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C2=O)CN3CCN(CC3)C4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C22H23N3O3/c1-15-3-8-20-19(13-15)21(27)22(28)25(20)14-23-9-11-24(12-10-23)18-6-4-17(5-7-18)16(2)26/h3-8,13H,9-12,14H2,1-2H3