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

Systemtic Name: 1-azanyl-4-(cyclohexylamino)-2-[4-(2-hydroxyethyl)piperazin-1-yl]anthracene-9,10-dione Openeye Name: 1-amino-4-(cyclohexylamino)-2-[4-(2-hydroxyethyl)piperazin-1-yl]anthracene-9,10-dione CAS Name: 1-amino-4-(cyclohexylamino)-2-[4-(2-hydroxyethyl)-1-piperazinyl]anthracene-9,10-dione IUPAC Name: 1-amino-4-(cyclohexylamino)-2-[4-(2-hydroxyethyl)piperazin-1-yl]anthracene-9,10-dione Traditional Name: 1-amino-4-(cyclohexylamino)-2-[4-(2-hydroxyethyl)piperazino]-9,10-anthraquinone Formula: C26H32N4O3 MolecularWeight: 448.55728

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C3C(=C(C(=C2)N4CCN(CC4)CCO)N)C(=O)C5=CC=CC=C5C3=O

Isomeric SMILES

C1CCC(CC1)NC2=C3C(=C(C(=C2)N4CCN(CC4)CCO)N)C(=O)C5=CC=CC=C5C3=O

InChI

InChI=1S/C26H32N4O3/c27-24-21(30-12-10-29(11-13-30)14-15-31)16-20(28-17-6-2-1-3-7-17)22-23(24)26(33)19-9-5-4-8-18(19)25(22)32/h4-5,8-9,16-17,28,31H,1-3,6-7,10-15,27H2