3-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 3-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 3-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-4-hydroxy-naphthalene-1,2-dione CAS Name: 3-[4-(1,3-benzoxazol-2-yl)-1-piperazinyl]-4-hydroxynaphthalene-1,2-dione IUPAC Name: 3-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-4-hydroxynaphthalene-1,2-dione Traditional Name: 3-[4-(1,3-benzoxazol-2-yl)piperazino]-4-hydroxy-1,2-naphthoquinone Formula: C21H17N3O4 MolecularWeight: 375.37738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C3=CC=CC=C3C(=O)C2=O)O)C4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CCN1C2=C(C3=CC=CC=C3C(=O)C2=O)O)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C21H17N3O4/c25-18-13-5-1-2-6-14(13)19(26)20(27)17(18)23-9-11-24(12-10-23)21-22-15-7-3-4-8-16(15)28-21/h1-8,25H,9-12H2