1-azanyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-(2-methylpropylamino)anthracene-9,10-dione

Systemtic Name: 1-azanyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-(2-methylpropylamino)anthracene-9,10-dione Openeye Name: 1-amino-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-(isobutylamino)anthracene-9,10-dione CAS Name: 1-amino-2-[4-(2-hydroxyethyl)-1-piperazinyl]-4-(2-methylpropylamino)anthracene-9,10-dione IUPAC Name: 1-amino-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-(2-methylpropylamino)anthracene-9,10-dione Traditional Name: 1-amino-2-[4-(2-hydroxyethyl)piperazino]-4-(isobutylamino)-9,10-anthraquinone Formula: C24H30N4O3 MolecularWeight: 422.52

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=C2C(=C(C(=C1)N3CCN(CC3)CCO)N)C(=O)C4=CC=CC=C4C2=O

Isomeric SMILES

CC(C)CNC1=C2C(=C(C(=C1)N3CCN(CC3)CCO)N)C(=O)C4=CC=CC=C4C2=O

InChI

InChI=1S/C24H30N4O3/c1-15(2)14-26-18-13-19(28-9-7-27(8-10-28)11-12-29)22(25)21-20(18)23(30)16-5-3-4-6-17(16)24(21)31/h3-6,13,15,26,29H,7-12,14,25H2,1-2H3