3-[butylamino(phenyl)methyl]-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 3-[butylamino(phenyl)methyl]-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 3-[butylamino(phenyl)methyl]-4-hydroxy-naphthalene-1,2-dione CAS Name: 3-[butylamino(phenyl)methyl]-4-hydroxynaphthalene-1,2-dione IUPAC Name: 3-[butylamino(phenyl)methyl]-4-hydroxynaphthalene-1,2-dione Traditional Name: 3-[butylamino(phenyl)methyl]-4-hydroxy-1,2-naphthoquinone Formula: C21H21NO3 MolecularWeight: 335.39634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3C(=O)C2=O)O

Isomeric SMILES

CCCCNC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3C(=O)C2=O)O

InChI

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