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

Systemtic Name: 1-azanyl-4-(ethylamino)-2-[4-(4-fluorophenyl)piperazin-1-yl]anthracene-9,10-dione Openeye Name: 1-amino-4-(ethylamino)-2-[4-(4-fluorophenyl)piperazin-1-yl]anthracene-9,10-dione CAS Name: 1-amino-4-(ethylamino)-2-[4-(4-fluorophenyl)-1-piperazinyl]anthracene-9,10-dione IUPAC Name: 1-amino-4-(ethylamino)-2-[4-(4-fluorophenyl)piperazin-1-yl]anthracene-9,10-dione Traditional Name: 1-amino-4-(ethylamino)-2-[4-(4-fluorophenyl)piperazino]-9,10-anthraquinone Formula: C26H25FN4O2 MolecularWeight: 444.500703

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C2C(=C(C(=C1)N3CCN(CC3)C4=CC=C(C=C4)F)N)C(=O)C5=CC=CC=C5C2=O

Isomeric SMILES

CCNC1=C2C(=C(C(=C1)N3CCN(CC3)C4=CC=C(C=C4)F)N)C(=O)C5=CC=CC=C5C2=O

InChI

InChI=1S/C26H25FN4O2/c1-2-29-20-15-21(31-13-11-30(12-14-31)17-9-7-16(27)8-10-17)24(28)23-22(20)25(32)18-5-3-4-6-19(18)26(23)33/h3-10,15,29H,2,11-14,28H2,1H3