4-methyl-N-[4-[2-[4-[(4-methylphenyl)-pyren-1-yl-amino]phenyl]ethyl]phenyl]-3-oxidanyl-naphthalene-2-carboxamide

Systemtic Name: 4-methyl-N-[4-[2-[4-[(4-methylphenyl)-pyren-1-yl-amino]phenyl]ethyl]phenyl]-3-oxidanyl-naphthalene-2-carboxamide Openeye Name: 3-hydroxy-4-methyl-N-[4-[2-[4-(4-methyl-N-pyren-1-yl-anilino)phenyl]ethyl]phenyl]naphthalene-2-carboxamide CAS Name: 3-hydroxy-4-methyl-N-[4-[2-[4-[4-methyl-N-(1-pyrenyl)anilino]phenyl]ethyl]phenyl]-2-naphthalenecarboxamide IUPAC Name: 3-hydroxy-4-methyl-N-[4-[2-[4-(4-methyl-N-pyren-1-ylanilino)phenyl]ethyl]phenyl]naphthalene-2-carboxamide Traditional Name: 3-hydroxy-4-methyl-N-[4-[2-[4-(4-methyl-N-pyren-1-yl-anilino)phenyl]ethyl]phenyl]-2-naphthamide Formula: C49H38N2O2 MolecularWeight: 686.83822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C2=CC=C(C=C2)CCC3=CC=C(C=C3)NC(=O)C4=CC5=CC=CC=C5C(=C4O)C)C6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6

Isomeric SMILES

CC1=CC=C(C=C1)N(C2=CC=C(C=C2)CCC3=CC=C(C=C3)NC(=O)C4=CC5=CC=CC=C5C(=C4O)C)C6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6

InChI

InChI=1S/C49H38N2O2/c1-31-10-24-40(25-11-31)51(45-29-21-37-19-18-35-7-5-8-36-20-28-43(45)47(37)46(35)36)41-26-16-34(17-27-41)13-12-33-14-22-39(23-15-33)50-49(53)44-30-38-6-3-4-9-42(38)32(2)48(44)52/h3-11,14-30,52H,12-13H2,1-2H3,(H,50,53)