3-[(2,4-dimethoxyphenyl)-oxidanyl-perylen-3-yl-methyl]-N-[4-[(4-methylphenyl)diazenyl]phenyl]benzamide

Systemtic Name: 3-[(2,4-dimethoxyphenyl)-oxidanyl-perylen-3-yl-methyl]-N-[4-[(4-methylphenyl)diazenyl]phenyl]benzamide Openeye Name: 3-[(2,4-dimethoxyphenyl)-hydroxy-perylen-3-yl-methyl]-N-[4-(p-tolylazo)phenyl]benzamide CAS Name: 3-[(2,4-dimethoxyphenyl)-hydroxy-(3-perylenyl)methyl]-N-[4-(4-methylphenyl)azophenyl]benzamide IUPAC Name: 3-[(2,4-dimethoxyphenyl)-hydroxy-perylen-3-ylmethyl]-N-[4-[(4-methylphenyl)diazenyl]phenyl]benzamide Traditional Name: 3-[(2,4-dimethoxyphenyl)-hydroxy-perylen-3-yl-methyl]-N-[4-(p-tolylazo)phenyl]benzamide Formula: C49H37N3O4 MolecularWeight: 731.83578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)C(C4=C(C=C(C=C4)OC)OC)(C5=CC=C6C7=CC=CC8=C7C(=CC=C8)C9=C6C5=CC=C9)O

Isomeric SMILES

CC1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)C(C4=C(C=C(C=C4)OC)OC)(C5=CC=C6C7=CC=CC8=C7C(=CC=C8)C9=C6C5=CC=C9)O

InChI

InChI=1S/C49H37N3O4/c1-30-16-18-35(19-17-30)51-52-36-22-20-34(21-23-36)50-48(53)32-10-4-11-33(28-32)49(54,44-26-24-37(55-2)29-45(44)56-3)43-27-25-41-39-13-6-9-31-8-5-12-38(46(31)39)40-14-7-15-42(43)47(40)41/h4-29,54H,1-3H3,(H,50,53)