1-azanyl-2-(azepan-1-yl)-4-(2-hydroxyethylamino)anthracene-9,10-dione

Systemtic Name: 1-azanyl-2-(azepan-1-yl)-4-(2-hydroxyethylamino)anthracene-9,10-dione Openeye Name: 1-amino-2-(azepan-1-yl)-4-(2-hydroxyethylamino)anthracene-9,10-dione CAS Name: 1-amino-2-(1-azepanyl)-4-(2-hydroxyethylamino)anthracene-9,10-dione IUPAC Name: 1-amino-2-(azepan-1-yl)-4-(2-hydroxyethylamino)anthracene-9,10-dione Traditional Name: 1-amino-2-(azepan-1-yl)-4-(2-hydroxyethylamino)-9,10-anthraquinone Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC(=C3C(=C2N)C(=O)C4=CC=CC=C4C3=O)NCCO

Isomeric SMILES

C1CCCN(CC1)C2=CC(=C3C(=C2N)C(=O)C4=CC=CC=C4C3=O)NCCO

InChI

InChI=1S/C22H25N3O3/c23-20-17(25-10-5-1-2-6-11-25)13-16(24-9-12-26)18-19(20)22(28)15-8-4-3-7-14(15)21(18)27/h3-4,7-8,13,24,26H,1-2,5-6,9-12,23H2