1-chloranyl-2-[4-(phenylmethyl)piperazin-1-yl]carbonyl-anthracene-9,10-dione hydrochloride

Systemtic Name: 1-chloranyl-2-[4-(phenylmethyl)piperazin-1-yl]carbonyl-anthracene-9,10-dione hydrochloride Openeye Name: 2-(4-benzylpiperazine-1-carbonyl)-1-chloro-anthracene-9,10-dione hydrochloride CAS Name: 1-chloro-2-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]anthracene-9,10-dione hydrochloride IUPAC Name: 2-(4-benzylpiperazine-1-carbonyl)-1-chloroanthracene-9,10-dione hydrochloride Traditional Name: 2-(4-benzylpiperazine-1-carbonyl)-1-chloro-9,10-anthraquinone hydrochloride Formula: C26H22Cl2N2O3 MolecularWeight: 481.37048

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)Cl.Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)Cl.Cl

InChI

InChI=1S/C26H21ClN2O3.ClH/c27-23-21(11-10-20-22(23)25(31)19-9-5-4-8-18(19)24(20)30)26(32)29-14-12-28(13-15-29)16-17-6-2-1-3-7-17;/h1-11H,12-16H2;1H