2-[1-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-1-oxidanylidene-propan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[1-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-1-oxidanylidene-propan-2-yl]isoindole-1,3-dione Openeye Name: 2-[2-[4-(2-furylmethyl)-1,4-diazepan-1-yl]-1-methyl-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[1-[4-(2-furanylmethyl)-1,4-diazepan-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[1-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione Traditional Name: 2-[2-[4-(2-furfuryl)-1,4-diazepan-1-yl]-2-keto-1-methyl-ethyl]isoindoline-1,3-quinone Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCN(CC1)CC2=CC=CO2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C(=O)N1CCCN(CC1)CC2=CC=CO2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H23N3O4/c1-15(24-20(26)17-7-2-3-8-18(17)21(24)27)19(25)23-10-5-9-22(11-12-23)14-16-6-4-13-28-16/h2-4,6-8,13,15H,5,9-12,14H2,1H3