2-chloranyl-3-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]naphthalene-1,4-dione

Systemtic Name: 2-chloranyl-3-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]naphthalene-1,4-dione Openeye Name: 2-chloro-3-[4-(4-fluorobenzoyl)piperazin-1-yl]naphthalene-1,4-dione CAS Name: 2-chloro-3-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]naphthalene-1,4-dione IUPAC Name: 2-chloro-3-[4-(4-fluorobenzoyl)piperazin-1-yl]naphthalene-1,4-dione Traditional Name: 2-chloro-3-[4-(4-fluorobenzoyl)piperazino]-1,4-naphthoquinone Formula: C21H16ClFN2O3 MolecularWeight: 398.814743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClFN2O3/c22-17-18(20(27)16-4-2-1-3-15(16)19(17)26)24-9-11-25(12-10-24)21(28)13-5-7-14(23)8-6-13/h1-8H,9-12H2