2-(pyridin-3-ylmethylamino)naphthalene-1,4-dione

Systemtic Name: 2-(pyridin-3-ylmethylamino)naphthalene-1,4-dione Openeye Name: 2-(3-pyridylmethylamino)naphthalene-1,4-dione CAS Name: 2-(3-pyridinylmethylamino)naphthalene-1,4-dione IUPAC Name: 2-(pyridin-3-ylmethylamino)naphthalene-1,4-dione Traditional Name: 2-(3-pyridylmethylamino)-1,4-naphthoquinone Formula: C16H12N2O2 MolecularWeight: 264.27868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C=C(C2=O)NCC3=CN=CC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C=C(C2=O)NCC3=CN=CC=C3

InChI

InChI=1S/C16H12N2O2/c19-15-8-14(18-10-11-4-3-7-17-9-11)16(20)13-6-2-1-5-12(13)15/h1-9,18H,10H2