6-(3-azanylpropylamino)-2-[4-(4-methoxyphenyl)phenyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 6-(3-azanylpropylamino)-2-[4-(4-methoxyphenyl)phenyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 6-(3-aminopropylamino)-2-[4-(4-methoxyphenyl)phenyl]benzo[de]isoquinoline-1,3-dione CAS Name: 6-(3-aminopropylamino)-2-[4-(4-methoxyphenyl)phenyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 6-(3-aminopropylamino)-2-[4-(4-methoxyphenyl)phenyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 6-(3-aminopropylamino)-2-[4-(4-methoxyphenyl)phenyl]benzo[de]isoquinoline-1,3-quinone Formula: C28H25N3O3 MolecularWeight: 451.5164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(C=C2)N3C(=O)C4=C5C(=C(C=C4)NCCCN)C=CC=C5C3=O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)N3C(=O)C4=C5C(=C(C=C4)NCCCN)C=CC=C5C3=O

InChI

InChI=1S/C28H25N3O3/c1-34-21-12-8-19(9-13-21)18-6-10-20(11-7-18)31-27(32)23-5-2-4-22-25(30-17-3-16-29)15-14-24(26(22)23)28(31)33/h2,4-15,30H,3,16-17,29H2,1H3