1-azanyl-4-[4-(2-hydroxyethyl)phenyl]-2-(pentan-3-ylamino)anthracene-9,10-dione

Systemtic Name: 1-azanyl-4-[4-(2-hydroxyethyl)phenyl]-2-(pentan-3-ylamino)anthracene-9,10-dione Openeye Name: 1-amino-2-(1-ethylpropylamino)-4-[4-(2-hydroxyethyl)phenyl]anthracene-9,10-dione CAS Name: 1-amino-4-[4-(2-hydroxyethyl)phenyl]-2-(pentan-3-ylamino)anthracene-9,10-dione IUPAC Name: 1-amino-4-[4-(2-hydroxyethyl)phenyl]-2-(pentan-3-ylamino)anthracene-9,10-dione Traditional Name: 1-amino-2-(1-ethylpropylamino)-4-[4-(2-hydroxyethyl)phenyl]-9,10-anthraquinone Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=C(C2=C(C(=C1)C3=CC=C(C=C3)CCO)C(=O)C4=CC=CC=C4C2=O)N

Isomeric SMILES

CCC(CC)NC1=C(C2=C(C(=C1)C3=CC=C(C=C3)CCO)C(=O)C4=CC=CC=C4C2=O)N

InChI

InChI=1S/C27H28N2O3/c1-3-18(4-2)29-22-15-21(17-11-9-16(10-12-17)13-14-30)23-24(25(22)28)27(32)20-8-6-5-7-19(20)26(23)31/h5-12,15,18,29-30H,3-4,13-14,28H2,1-2H3