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

Systemtic Name: 1-azanyl-2-(azepan-1-yl)-4-[3-(dimethylamino)propylamino]anthracene-9,10-dione Openeye Name: 1-amino-2-(azepan-1-yl)-4-[3-(dimethylamino)propylamino]anthracene-9,10-dione CAS Name: 1-amino-2-(1-azepanyl)-4-[3-(dimethylamino)propylamino]anthracene-9,10-dione IUPAC Name: 1-amino-2-(azepan-1-yl)-4-[3-(dimethylamino)propylamino]anthracene-9,10-dione Traditional Name: 1-amino-2-(azepan-1-yl)-4-[3-(dimethylamino)propylamino]-9,10-anthraquinone Formula: C25H32N4O2 MolecularWeight: 420.54718

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=C2C(=C(C(=C1)N3CCCCCC3)N)C(=O)C4=CC=CC=C4C2=O

Isomeric SMILES

CN(C)CCCNC1=C2C(=C(C(=C1)N3CCCCCC3)N)C(=O)C4=CC=CC=C4C2=O

InChI

InChI=1S/C25H32N4O2/c1-28(2)13-9-12-27-19-16-20(29-14-7-3-4-8-15-29)23(26)22-21(19)24(30)17-10-5-6-11-18(17)25(22)31/h5-6,10-11,16,27H,3-4,7-9,12-15,26H2,1-2H3