2-(oxolan-2-ylmethyl)-5-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]isoindole-1,3-dione

Systemtic Name: 2-(oxolan-2-ylmethyl)-5-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]isoindole-1,3-dione Openeye Name: 2-(tetrahydrofuran-2-ylmethyl)-5-[4-(2-thienylmethyl)-1,4-diazepane-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-(2-oxolanylmethyl)-5-[oxo-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-(oxolan-2-ylmethyl)-5-[4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-(tetrahydrofurfuryl)-5-[4-(2-thenyl)-1,4-diazepane-1-carbonyl]isoindoline-1,3-quinone Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCCN(CC4)CC5=CC=CS5

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCCN(CC4)CC5=CC=CS5

InChI

InChI=1S/C24H27N3O4S/c28-22(26-9-3-8-25(10-11-26)16-19-5-2-13-32-19)17-6-7-20-21(14-17)24(30)27(23(20)29)15-18-4-1-12-31-18/h2,5-7,13-14,18H,1,3-4,8-12,15-16H2