2-[(3S)-7,7-dimethyl-2-oxidanylidene-azepan-3-yl]isoindole-1,3-dione

Systemtic Name: 2-[(3S)-7,7-dimethyl-2-oxidanylidene-azepan-3-yl]isoindole-1,3-dione Openeye Name: 2-[(3S)-7,7-dimethyl-2-oxo-azepan-3-yl]isoindoline-1,3-dione CAS Name: 2-[(3S)-7,7-dimethyl-2-oxo-3-azepanyl]isoindole-1,3-dione IUPAC Name: 2-[(3S)-7,7-dimethyl-2-oxoazepan-3-yl]isoindole-1,3-dione Traditional Name: 2-[(3S)-2-keto-7,7-dimethyl-azepan-3-yl]isoindoline-1,3-quinone Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(C(=O)N1)N2C(=O)C3=CC=CC=C3C2=O)C

Isomeric SMILES

CC1(CCC[C@@H](C(=O)N1)N2C(=O)C3=CC=CC=C3C2=O)C

InChI

InChI=1S/C16H18N2O3/c1-16(2)9-5-8-12(13(19)17-16)18-14(20)10-6-3-4-7-11(10)15(18)21/h3-4,6-7,12H,5,8-9H2,1-2H3,(H,17,19)/t12-/m0/s1