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

Systemtic Name: 1,4-bis[[2-oxidanyl-3-[(phenylmethyl)amino]propyl]amino]anthracene-9,10-dione Openeye Name: 1,4-bis[[3-(benzylamino)-2-hydroxy-propyl]amino]anthracene-9,10-dione CAS Name: 1,4-bis[[2-hydroxy-3-[(phenylmethyl)amino]propyl]amino]anthracene-9,10-dione IUPAC Name: 1,4-bis[[3-(benzylamino)-2-hydroxypropyl]amino]anthracene-9,10-dione Traditional Name: 1,4-bis[[3-(benzylamino)-2-hydroxy-propyl]amino]-9,10-anthraquinone Formula: C34H36N4O4 MolecularWeight: 564.67404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCC(CNC2=C3C(=C(C=C2)NCC(CNCC4=CC=CC=C4)O)C(=O)C5=CC=CC=C5C3=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNCC(CNC2=C3C(=C(C=C2)NCC(CNCC4=CC=CC=C4)O)C(=O)C5=CC=CC=C5C3=O)O

InChI

InChI=1S/C34H36N4O4/c39-25(19-35-17-23-9-3-1-4-10-23)21-37-29-15-16-30(38-22-26(40)20-36-18-24-11-5-2-6-12-24)32-31(29)33(41)27-13-7-8-14-28(27)34(32)42/h1-16,25-26,35-40H,17-22H2