2-[4-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-yl]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-yl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxo-piperazin-1-yl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-3-oxo-1-piperazinyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-keto-piperazino]butyl]isoindoline-1,3-quinone Formula: C27H29N5O3 MolecularWeight: 471.55086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCCN3CCCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCCN3CCCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H29N5O3/c1-18-23(19(2)32(29-18)20-10-4-3-5-11-20)24-25(33)28-14-17-30(24)15-8-9-16-31-26(34)21-12-6-7-13-22(21)27(31)35/h3-7,10-13,24H,8-9,14-17H2,1-2H3,(H,28,33)