1-[(3-chloranyl-2-oxidanyl-propyl)amino]-4-[[2-oxidanyl-3-[(phenylmethyl)amino]propyl]amino]anthracene-9,10-dione

Systemtic Name: 1-[(3-chloranyl-2-oxidanyl-propyl)amino]-4-[[2-oxidanyl-3-[(phenylmethyl)amino]propyl]amino]anthracene-9,10-dione Openeye Name: 1-[[3-(benzylamino)-2-hydroxy-propyl]amino]-4-[(3-chloro-2-hydroxy-propyl)amino]anthracene-9,10-dione CAS Name: 1-[(3-chloro-2-hydroxypropyl)amino]-4-[[2-hydroxy-3-[(phenylmethyl)amino]propyl]amino]anthracene-9,10-dione IUPAC Name: 1-[[3-(benzylamino)-2-hydroxypropyl]amino]-4-[(3-chloro-2-hydroxypropyl)amino]anthracene-9,10-dione Traditional Name: 1-[[3-(benzylamino)-2-hydroxy-propyl]amino]-4-[(3-chloro-2-hydroxy-propyl)amino]-9,10-anthraquinone Formula: C27H28ClN3O4 MolecularWeight: 493.98192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCC(CNC2=C3C(=C(C=C2)NCC(CCl)O)C(=O)C4=CC=CC=C4C3=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNCC(CNC2=C3C(=C(C=C2)NCC(CCl)O)C(=O)C4=CC=CC=C4C3=O)O

InChI

InChI=1S/C27H28ClN3O4/c28-12-18(32)15-30-22-10-11-23(31-16-19(33)14-29-13-17-6-2-1-3-7-17)25-24(22)26(34)20-8-4-5-9-21(20)27(25)35/h1-11,18-19,29-33H,12-16H2