2-(azepan-1-yl)-3-(hydroxymethyl)naphthalene-1,4-dione

Systemtic Name: 2-(azepan-1-yl)-3-(hydroxymethyl)naphthalene-1,4-dione Openeye Name: 2-(azepan-1-yl)-3-(hydroxymethyl)naphthalene-1,4-dione CAS Name: 2-(1-azepanyl)-3-(hydroxymethyl)naphthalene-1,4-dione IUPAC Name: 2-(azepan-1-yl)-3-(hydroxymethyl)naphthalene-1,4-dione Traditional Name: 2-(azepan-1-yl)-3-methylol-1,4-naphthoquinone Formula: C17H19NO3 MolecularWeight: 285.33766

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)CO

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)CO

InChI

InChI=1S/C17H19NO3/c19-11-14-15(18-9-5-1-2-6-10-18)17(21)13-8-4-3-7-12(13)16(14)20/h3-4,7-8,19H,1-2,5-6,9-11H2