1-azanyl-2-(4-cyclohexylpiperazin-1-yl)-4-[3-(dimethylamino)propylamino]anthracene-9,10-dione

Systemtic Name: 1-azanyl-2-(4-cyclohexylpiperazin-1-yl)-4-[3-(dimethylamino)propylamino]anthracene-9,10-dione Openeye Name: 1-amino-2-(4-cyclohexylpiperazin-1-yl)-4-[3-(dimethylamino)propylamino]anthracene-9,10-dione CAS Name: 1-amino-2-(4-cyclohexyl-1-piperazinyl)-4-[3-(dimethylamino)propylamino]anthracene-9,10-dione IUPAC Name: 1-amino-2-(4-cyclohexylpiperazin-1-yl)-4-[3-(dimethylamino)propylamino]anthracene-9,10-dione Traditional Name: 1-amino-2-(4-cyclohexylpiperazino)-4-[3-(dimethylamino)propylamino]-9,10-anthraquinone Formula: C29H39N5O2 MolecularWeight: 489.65226

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=C2C(=C(C(=C1)N3CCN(CC3)C4CCCCC4)N)C(=O)C5=CC=CC=C5C2=O

Isomeric SMILES

CN(C)CCCNC1=C2C(=C(C(=C1)N3CCN(CC3)C4CCCCC4)N)C(=O)C5=CC=CC=C5C2=O

InChI

InChI=1S/C29H39N5O2/c1-32(2)14-8-13-31-23-19-24(34-17-15-33(16-18-34)20-9-4-3-5-10-20)27(30)26-25(23)28(35)21-11-6-7-12-22(21)29(26)36/h6-7,11-12,19-20,31H,3-5,8-10,13-18,30H2,1-2H3