6-(octylamino)-2-[4-(4-octylphenyl)phenyl]benzo[e]perimidin-7-one

Systemtic Name: 6-(octylamino)-2-[4-(4-octylphenyl)phenyl]benzo[e]perimidin-7-one Openeye Name: 6-(octylamino)-2-[4-(4-octylphenyl)phenyl]benzo[e]perimidin-7-one CAS Name: 6-(octylamino)-2-[4-(4-octylphenyl)phenyl]-7-benzo[e]perimidinone IUPAC Name: 6-(octylamino)-2-[4-(4-octylphenyl)phenyl]benzo[e]perimidin-7-one Traditional Name: 6-(octylamino)-2-[4-(4-octylphenyl)phenyl]benzo[e]perimidin-7-one Formula: C43H49N3O MolecularWeight: 623.86866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=C5C(=C(C=C4)NCCCCCCCC)C(=O)C6=CC=CC=C6C5=N3

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=C5C(=C(C=C4)NCCCCCCCC)C(=O)C6=CC=CC=C6C5=N3

InChI

InChI=1S/C43H49N3O/c1-3-5-7-9-11-13-17-31-20-22-32(23-21-31)33-24-26-34(27-25-33)43-45-38-29-28-37(44-30-16-12-10-8-6-4-2)40-39(38)41(46-43)35-18-14-15-19-36(35)42(40)47/h14-15,18-29,44H,3-13,16-17,30H2,1-2H3