2-[2-(pyridin-4-ylmethylamino)ethylamino]naphthalene-1,4-dione

Systemtic Name: 2-[2-(pyridin-4-ylmethylamino)ethylamino]naphthalene-1,4-dione Openeye Name: 2-[2-(4-pyridylmethylamino)ethylamino]naphthalene-1,4-dione CAS Name: 2-[2-(pyridin-4-ylmethylamino)ethylamino]naphthalene-1,4-dione IUPAC Name: 2-[2-(pyridin-4-ylmethylamino)ethylamino]naphthalene-1,4-dione Traditional Name: 2-[2-(4-pyridylmethylamino)ethylamino]-1,4-naphthoquinone Formula: C18H17N3O2 MolecularWeight: 307.34648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C=C(C2=O)NCCNCC3=CC=NC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C=C(C2=O)NCCNCC3=CC=NC=C3

InChI

InChI=1S/C18H17N3O2/c22-17-11-16(18(23)15-4-2-1-3-14(15)17)21-10-9-20-12-13-5-7-19-8-6-13/h1-8,11,20-21H,9-10,12H2