4-[4-[1-(3-methoxy-4-oxidanyl-phenyl)propan-2-yl]piperazin-1-yl]-2-(2-pyrazol-1-ylethyl)isoindole-1,3-dione

Systemtic Name: 4-[4-[1-(3-methoxy-4-oxidanyl-phenyl)propan-2-yl]piperazin-1-yl]-2-(2-pyrazol-1-ylethyl)isoindole-1,3-dione Openeye Name: 4-[4-[2-(4-hydroxy-3-methoxy-phenyl)-1-methyl-ethyl]piperazin-1-yl]-2-(2-pyrazol-1-ylethyl)isoindoline-1,3-dione CAS Name: 4-[4-[1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-1-piperazinyl]-2-[2-(1-pyrazolyl)ethyl]isoindole-1,3-dione IUPAC Name: 4-[4-[1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperazin-1-yl]-2-(2-pyrazol-1-ylethyl)isoindole-1,3-dione Traditional Name: 4-[4-[2-(4-hydroxy-3-methoxy-phenyl)-1-methyl-ethyl]piperazino]-2-(2-pyrazol-1-ylethyl)isoindoline-1,3-quinone Formula: C27H31N5O4 MolecularWeight: 489.56614

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)O)OC)N2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CCN5C=CC=N5

Isomeric SMILES

CC(CC1=CC(=C(C=C1)O)OC)N2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CCN5C=CC=N5

InChI

InChI=1S/C27H31N5O4/c1-19(17-20-7-8-23(33)24(18-20)36-2)29-11-13-30(14-12-29)22-6-3-5-21-25(22)27(35)32(26(21)34)16-15-31-10-4-9-28-31/h3-10,18-19,33H,11-17H2,1-2H3