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

Systemtic Name: 2-[3-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]carbonylphenyl]isoindole-1,3-dione Openeye Name: 2-[3-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazine-1-carbonyl]phenyl]isoindoline-1,3-dione CAS Name: 2-[3-[[4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-1-piperazinyl]-oxomethyl]phenyl]isoindole-1,3-dione IUPAC Name: 2-[3-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine-1-carbonyl]phenyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazine-1-carbonyl]phenyl]isoindoline-1,3-quinone Formula: C26H27N5O3 MolecularWeight: 457.52428

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CCN1C=C(C(=N1)C)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C26H27N5O3/c1-3-30-17-20(18(2)27-30)16-28-11-13-29(14-12-28)24(32)19-7-6-8-21(15-19)31-25(33)22-9-4-5-10-23(22)26(31)34/h4-10,15,17H,3,11-14,16H2,1-2H3