2,5-dimethyl-4-phenyl-6-piperazin-1-yl-7-(2-propan-2-yloxyphenyl)isoindole-1,3-dione

Systemtic Name: 2,5-dimethyl-4-phenyl-6-piperazin-1-yl-7-(2-propan-2-yloxyphenyl)isoindole-1,3-dione Openeye Name: 4-(2-isopropoxyphenyl)-2,6-dimethyl-7-phenyl-5-piperazin-1-yl-isoindoline-1,3-dione CAS Name: 2,5-dimethyl-4-phenyl-6-(1-piperazinyl)-7-(2-propan-2-yloxyphenyl)isoindole-1,3-dione IUPAC Name: 2,5-dimethyl-4-phenyl-6-piperazin-1-yl-7-(2-propan-2-yloxyphenyl)isoindole-1,3-dione Traditional Name: 4-(2-isopropoxyphenyl)-2,6-dimethyl-7-phenyl-5-piperazino-isoindoline-1,3-quinone Formula: C29H31N3O3 MolecularWeight: 469.57474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=C1C3=CC=CC=C3)C(=O)N(C2=O)C)C4=CC=CC=C4OC(C)C)N5CCNCC5

Isomeric SMILES

CC1=C(C(=C2C(=C1C3=CC=CC=C3)C(=O)N(C2=O)C)C4=CC=CC=C4OC(C)C)N5CCNCC5

InChI

InChI=1S/C29H31N3O3/c1-18(2)35-22-13-9-8-12-21(22)24-26-25(28(33)31(4)29(26)34)23(20-10-6-5-7-11-20)19(3)27(24)32-16-14-30-15-17-32/h5-13,18,30H,14-17H2,1-4H3