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

Systemtic Name: 6-(butylamino)-2-[4-(4-octylphenyl)phenyl]benzo[e]perimidin-7-one Openeye Name: 6-(butylamino)-2-[4-(4-octylphenyl)phenyl]benzo[e]perimidin-7-one CAS Name: 6-(butylamino)-2-[4-(4-octylphenyl)phenyl]-7-benzo[e]perimidinone IUPAC Name: 6-(butylamino)-2-[4-(4-octylphenyl)phenyl]benzo[e]perimidin-7-one Traditional Name: 6-(butylamino)-2-[4-(4-octylphenyl)phenyl]benzo[e]perimidin-7-one Formula: C39H41N3O MolecularWeight: 567.76234

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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)NCCCC)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)NCCCC)C(=O)C6=CC=CC=C6C5=N3

InChI

InChI=1S/C39H41N3O/c1-3-5-7-8-9-10-13-27-16-18-28(19-17-27)29-20-22-30(23-21-29)39-41-34-25-24-33(40-26-6-4-2)36-35(34)37(42-39)31-14-11-12-15-32(31)38(36)43/h11-12,14-25,40H,3-10,13,26H2,1-2H3