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

Systemtic Name: 2-[4-(2-bromophenyl)carbonylpiperazin-1-yl]-3-chloranyl-naphthalene-1,4-dione Openeye Name: 2-[4-(2-bromobenzoyl)piperazin-1-yl]-3-chloro-naphthalene-1,4-dione CAS Name: 2-[4-[(2-bromophenyl)-oxomethyl]-1-piperazinyl]-3-chloronaphthalene-1,4-dione IUPAC Name: 2-[4-(2-bromobenzoyl)piperazin-1-yl]-3-chloronaphthalene-1,4-dione Traditional Name: 2-[4-(2-bromobenzoyl)piperazino]-3-chloro-1,4-naphthoquinone Formula: C21H16BrClN2O3 MolecularWeight: 459.72034

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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=CC=C4Br

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)C3=CC=CC=C3C2=O)Cl)C(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C21H16BrClN2O3/c22-16-8-4-3-7-15(16)21(28)25-11-9-24(10-12-25)18-17(23)19(26)13-5-1-2-6-14(13)20(18)27/h1-8H,9-12H2