2-butyl-1,3-dimethyl-5-[2-oxidanyl-3-(4-phenylpiperazin-1-yl)propyl]pyrrolo[3,4-c]pyrrole-4,6-dione

Systemtic Name: 2-butyl-1,3-dimethyl-5-[2-oxidanyl-3-(4-phenylpiperazin-1-yl)propyl]pyrrolo[3,4-c]pyrrole-4,6-dione Openeye Name: 2-butyl-5-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-1,3-dimethyl-pyrrolo[3,4-c]pyrrole-4,6-dione CAS Name: 2-butyl-5-[2-hydroxy-3-(4-phenyl-1-piperazinyl)propyl]-1,3-dimethylpyrrolo[3,4-c]pyrrole-4,6-dione IUPAC Name: 2-butyl-5-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-1,3-dimethylpyrrolo[3,4-c]pyrrole-4,6-dione Traditional Name: 2-butyl-5-[2-hydroxy-3-(4-phenylpiperazino)propyl]-1,3-dimethyl-pyrrolo[3,4-c]pyrrole-4,6-quinone Formula: C25H34N4O3 MolecularWeight: 438.56246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C2C(=C1C)C(=O)N(C2=O)CC(CN3CCN(CC3)C4=CC=CC=C4)O)C

Isomeric SMILES

CCCCN1C(=C2C(=C1C)C(=O)N(C2=O)CC(CN3CCN(CC3)C4=CC=CC=C4)O)C

InChI

InChI=1S/C25H34N4O3/c1-4-5-11-28-18(2)22-23(19(28)3)25(32)29(24(22)31)17-21(30)16-26-12-14-27(15-13-26)20-9-7-6-8-10-20/h6-10,21,30H,4-5,11-17H2,1-3H3