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

Systemtic Name: 6-(3-azanylpropylamino)-2-[4-(4-methoxyphenyl)-3-methyl-phenyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 6-(3-aminopropylamino)-2-[4-(4-methoxyphenyl)-3-methyl-phenyl]benzo[de]isoquinoline-1,3-dione CAS Name: 6-(3-aminopropylamino)-2-[4-(4-methoxyphenyl)-3-methylphenyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 6-(3-aminopropylamino)-2-[4-(4-methoxyphenyl)-3-methylphenyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 6-(3-aminopropylamino)-2-[4-(4-methoxyphenyl)-3-methyl-phenyl]benzo[de]isoquinoline-1,3-quinone Formula: C29H27N3O3 MolecularWeight: 465.54298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C(=O)C3=C4C(=C(C=C3)NCCCN)C=CC=C4C2=O)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=C(C=CC(=C1)N2C(=O)C3=C4C(=C(C=C3)NCCCN)C=CC=C4C2=O)C5=CC=C(C=C5)OC

InChI

InChI=1S/C29H27N3O3/c1-18-17-20(9-12-22(18)19-7-10-21(35-2)11-8-19)32-28(33)24-6-3-5-23-26(31-16-4-15-30)14-13-25(27(23)24)29(32)34/h3,5-14,17,31H,4,15-16,30H2,1-2H3