2-[4-(azepan-1-yl)but-2-ynyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(azepan-1-yl)but-2-ynyl]isoindole-1,3-dione Openeye Name: 2-[4-(azepan-1-yl)but-2-ynyl]isoindoline-1,3-dione CAS Name: 2-[4-(1-azepanyl)but-2-ynyl]isoindole-1,3-dione IUPAC Name: 2-[4-(azepan-1-yl)but-2-ynyl]isoindole-1,3-dione Traditional Name: 2-[4-(azepan-1-yl)but-2-ynyl]isoindoline-1,3-quinone Formula: C18H20N2O2 MolecularWeight: 296.3636

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC#CCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1CCCN(CC1)CC#CCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H20N2O2/c21-17-15-9-3-4-10-16(15)18(22)20(17)14-8-7-13-19-11-5-1-2-6-12-19/h3-4,9-10H,1-2,5-6,11-14H2