1-[[3-(dimethylamino)-4-phenyl-butyl]amino]-4-(methylamino)anthracene-9,10-dione

Systemtic Name: 1-[[3-(dimethylamino)-4-phenyl-butyl]amino]-4-(methylamino)anthracene-9,10-dione Openeye Name: 1-[[3-(dimethylamino)-4-phenyl-butyl]amino]-4-(methylamino)anthracene-9,10-dione CAS Name: 1-[[3-(dimethylamino)-4-phenylbutyl]amino]-4-(methylamino)anthracene-9,10-dione IUPAC Name: 1-[[3-(dimethylamino)-4-phenylbutyl]amino]-4-(methylamino)anthracene-9,10-dione Traditional Name: 1-[[3-(dimethylamino)-4-phenyl-butyl]amino]-4-(methylamino)-9,10-anthraquinone Formula: C27H29N3O2 MolecularWeight: 427.53806

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C2C(=C(C=C1)NCCC(CC3=CC=CC=C3)N(C)C)C(=O)C4=CC=CC=C4C2=O

Isomeric SMILES

CNC1=C2C(=C(C=C1)NCCC(CC3=CC=CC=C3)N(C)C)C(=O)C4=CC=CC=C4C2=O

InChI

InChI=1S/C27H29N3O2/c1-28-22-13-14-23(25-24(22)26(31)20-11-7-8-12-21(20)27(25)32)29-16-15-19(30(2)3)17-18-9-5-4-6-10-18/h4-14,19,28-29H,15-17H2,1-3H3