2-[[4-ethoxy-3-(4-pyrrolidin-1-ylcarbonylpiperazin-1-yl)carbonyl-phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-ethoxy-3-(4-pyrrolidin-1-ylcarbonylpiperazin-1-yl)carbonyl-phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-ethoxy-3-[4-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-ethoxy-3-[oxo-[4-[oxo(1-pyrrolidinyl)methyl]-1-piperazinyl]methyl]phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-ethoxy-3-[4-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[4-ethoxy-3-[4-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]benzyl]isoindoline-1,3-quinone Formula: C27H30N4O5 MolecularWeight: 490.5509

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)C(=O)N5CCCC5

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)C(=O)N5CCCC5

InChI

InChI=1S/C27H30N4O5/c1-2-36-23-10-9-19(18-31-25(33)20-7-3-4-8-21(20)26(31)34)17-22(23)24(32)28-13-15-30(16-14-28)27(35)29-11-5-6-12-29/h3-4,7-10,17H,2,5-6,11-16,18H2,1H3