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

Systemtic Name: 2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-3-chloranyl-naphthalene-1,4-dione Openeye Name: 2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-3-chloro-naphthalene-1,4-dione CAS Name: 2-[4-(1,3-benzoxazol-2-yl)-1-piperazinyl]-3-chloronaphthalene-1,4-dione IUPAC Name: 2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-3-chloronaphthalene-1,4-dione Traditional Name: 2-[4-(1,3-benzoxazol-2-yl)piperazino]-3-chloro-1,4-naphthoquinone Formula: C21H16ClN3O3 MolecularWeight: 393.82304

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)C3=CC=CC=C3C2=O)Cl)C4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)C3=CC=CC=C3C2=O)Cl)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C21H16ClN3O3/c22-17-18(20(27)14-6-2-1-5-13(14)19(17)26)24-9-11-25(12-10-24)21-23-15-7-3-4-8-16(15)28-21/h1-8H,9-12H2