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

Systemtic Name: 2-[3-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-1-yl]carbonylphenyl]isoindole-1,3-dione Openeye Name: 2-[3-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]piperazine-1-carbonyl]phenyl]isoindoline-1,3-dione CAS Name: 2-[3-[[4-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-1-piperazinyl]-oxomethyl]phenyl]isoindole-1,3-dione IUPAC Name: 2-[3-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazine-1-carbonyl]phenyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]piperazine-1-carbonyl]phenyl]isoindoline-1,3-quinone Formula: C31H29N5O3 MolecularWeight: 519.59366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CCN(CC3)C(=O)C4=CC(=CC=C4)N5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CCN(CC3)C(=O)C4=CC(=CC=C4)N5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C31H29N5O3/c1-21-28(22(2)36(32-21)24-10-4-3-5-11-24)20-33-15-17-34(18-16-33)29(37)23-9-8-12-25(19-23)35-30(38)26-13-6-7-14-27(26)31(35)39/h3-14,19H,15-18,20H2,1-2H3