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

Systemtic Name: 1-azanyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-(2-methylpropylamino)anthracene-9,10-dione Openeye Name: 1-amino-4-(isobutylamino)-2-[4-(4-methoxyphenyl)piperazin-1-yl]anthracene-9,10-dione CAS Name: 1-amino-2-[4-(4-methoxyphenyl)-1-piperazinyl]-4-(2-methylpropylamino)anthracene-9,10-dione IUPAC Name: 1-amino-2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-(2-methylpropylamino)anthracene-9,10-dione Traditional Name: 1-amino-4-(isobutylamino)-2-[4-(4-methoxyphenyl)piperazino]-9,10-anthraquinone Formula: C29H32N4O3 MolecularWeight: 484.58938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=C2C(=C(C(=C1)N3CCN(CC3)C4=CC=C(C=C4)OC)N)C(=O)C5=CC=CC=C5C2=O

Isomeric SMILES

CC(C)CNC1=C2C(=C(C(=C1)N3CCN(CC3)C4=CC=C(C=C4)OC)N)C(=O)C5=CC=CC=C5C2=O

InChI

InChI=1S/C29H32N4O3/c1-18(2)17-31-23-16-24(33-14-12-32(13-15-33)19-8-10-20(36-3)11-9-19)27(30)26-25(23)28(34)21-6-4-5-7-22(21)29(26)35/h4-11,16,18,31H,12-15,17,30H2,1-3H3