3-[2-[(2S)-4-methyl-2-propan-2-yl-piperazin-1-yl]-2-oxidanylidene-ethyl]-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidine-2,5-dione

Systemtic Name: 3-[2-[(2S)-4-methyl-2-propan-2-yl-piperazin-1-yl]-2-oxidanylidene-ethyl]-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidine-2,5-dione Openeye Name: 3-[2-[(2S)-2-isopropyl-4-methyl-piperazin-1-yl]-2-oxo-ethyl]-3-phenyl-1-[3-(3-pyridyloxy)propyl]pyrrolidine-2,5-dione CAS Name: 3-[2-[(2S)-4-methyl-2-propan-2-yl-1-piperazinyl]-2-oxoethyl]-3-phenyl-1-[3-(3-pyridinyloxy)propyl]pyrrolidine-2,5-dione IUPAC Name: 3-[2-[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidine-2,5-dione Traditional Name: 3-[2-[(2S)-2-isopropyl-4-methyl-piperazino]-2-keto-ethyl]-3-phenyl-1-[3-(3-pyridyloxy)propyl]pyrrolidine-2,5-quinone Formula: C28H36N4O4 MolecularWeight: 492.60984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CN(CCN1C(=O)CC2(CC(=O)N(C2=O)CCCOC3=CN=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC(C)[C@H]1CN(CCN1C(=O)CC2(CC(=O)N(C2=O)CCCOC3=CN=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C28H36N4O4/c1-21(2)24-20-30(3)14-15-31(24)25(33)17-28(22-9-5-4-6-10-22)18-26(34)32(27(28)35)13-8-16-36-23-11-7-12-29-19-23/h4-7,9-12,19,21,24H,8,13-18,20H2,1-3H3/t24-,28?/m1/s1