1-azanyl-4-oxidanyl-2-[4-[(2-oxidanylideneazepan-1-yl)methyl]phenoxy]anthracene-9,10-dione

Systemtic Name: 1-azanyl-4-oxidanyl-2-[4-[(2-oxidanylideneazepan-1-yl)methyl]phenoxy]anthracene-9,10-dione Openeye Name: 1-amino-4-hydroxy-2-[4-[(2-oxoazepan-1-yl)methyl]phenoxy]anthracene-9,10-dione CAS Name: 1-amino-4-hydroxy-2-[4-[(2-oxo-1-azepanyl)methyl]phenoxy]anthracene-9,10-dione IUPAC Name: 1-amino-4-hydroxy-2-[4-[(2-oxoazepan-1-yl)methyl]phenoxy]anthracene-9,10-dione Traditional Name: 1-amino-4-hydroxy-2-[4-[(2-ketoazepan-1-yl)methyl]phenoxy]-9,10-anthraquinone Formula: C27H24N2O5 MolecularWeight: 456.48986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC2=CC=C(C=C2)OC3=C(C4=C(C(=C3)O)C(=O)C5=CC=CC=C5C4=O)N

Isomeric SMILES

C1CCC(=O)N(CC1)CC2=CC=C(C=C2)OC3=C(C4=C(C(=C3)O)C(=O)C5=CC=CC=C5C4=O)N

InChI

InChI=1S/C27H24N2O5/c28-25-21(14-20(30)23-24(25)27(33)19-7-4-3-6-18(19)26(23)32)34-17-11-9-16(10-12-17)15-29-13-5-1-2-8-22(29)31/h3-4,6-7,9-12,14,30H,1-2,5,8,13,15,28H2