2-methoxy-3-[(phenylmethyl)-propyl-amino]naphthalene-1,4-dione

Systemtic Name: 2-methoxy-3-[(phenylmethyl)-propyl-amino]naphthalene-1,4-dione Openeye Name: 2-[benzyl(propyl)amino]-3-methoxy-naphthalene-1,4-dione CAS Name: 2-methoxy-3-[(phenylmethyl)-propylamino]naphthalene-1,4-dione IUPAC Name: 2-[benzyl(propyl)amino]-3-methoxynaphthalene-1,4-dione Traditional Name: 2-[benzyl(propyl)amino]-3-methoxy-1,4-naphthoquinone Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CC=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)OC

Isomeric SMILES

CCCN(CC1=CC=CC=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)OC

InChI

InChI=1S/C21H21NO3/c1-3-13-22(14-15-9-5-4-6-10-15)18-19(23)16-11-7-8-12-17(16)20(24)21(18)25-2/h4-12H,3,13-14H2,1-2H3