3-methyl-1-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]but-2-ynyl]-4-pyridin-4-yl-pyrrolidine-2,5-dione

Systemtic Name: 3-methyl-1-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]but-2-ynyl]-4-pyridin-4-yl-pyrrolidine-2,5-dione Openeye Name: 1-[4-[4-(2-isopropoxyphenyl)piperazin-1-yl]but-2-ynyl]-3-methyl-4-(4-pyridyl)pyrrolidine-2,5-dione CAS Name: 3-methyl-1-[4-[4-(2-propan-2-yloxyphenyl)-1-piperazinyl]but-2-ynyl]-4-pyridin-4-ylpyrrolidine-2,5-dione IUPAC Name: 3-methyl-1-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]but-2-ynyl]-4-pyridin-4-ylpyrrolidine-2,5-dione Traditional Name: 1-[4-[4-(2-isopropoxyphenyl)piperazino]but-2-ynyl]-3-methyl-4-(4-pyridyl)pyrrolidine-2,5-quinone Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)N(C1=O)CC#CCN2CCN(CC2)C3=CC=CC=C3OC(C)C)C4=CC=NC=C4

Isomeric SMILES

CC1C(C(=O)N(C1=O)CC#CCN2CCN(CC2)C3=CC=CC=C3OC(C)C)C4=CC=NC=C4

InChI

InChI=1S/C27H32N4O3/c1-20(2)34-24-9-5-4-8-23(24)30-18-16-29(17-19-30)14-6-7-15-31-26(32)21(3)25(27(31)33)22-10-12-28-13-11-22/h4-5,8-13,20-21,25H,14-19H2,1-3H3