5-methoxy-6-(4-methylpiperazin-1-yl)-2-phenylmethoxy-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 5-methoxy-6-(4-methylpiperazin-1-yl)-2-phenylmethoxy-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-benzyloxy-5-methoxy-6-(4-methylpiperazin-1-yl)benzo[de]isoquinoline-1,3-dione CAS Name: 5-methoxy-6-(4-methyl-1-piperazinyl)-2-phenylmethoxybenzo[de]isoquinoline-1,3-dione IUPAC Name: 5-methoxy-6-(4-methylpiperazin-1-yl)-2-phenylmethoxybenzo[de]isoquinoline-1,3-dione Traditional Name: 2-benzoxy-5-methoxy-6-(4-methylpiperazino)benzo[de]isoquinoline-1,3-quinone Formula: C25H25N3O4 MolecularWeight: 431.4837

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C3C4=C2C=CC=C4C(=O)N(C3=O)OCC5=CC=CC=C5)OC

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C3C4=C2C=CC=C4C(=O)N(C3=O)OCC5=CC=CC=C5)OC

InChI

InChI=1S/C25H25N3O4/c1-26-11-13-27(14-12-26)23-18-9-6-10-19-22(18)20(15-21(23)31-2)25(30)28(24(19)29)32-16-17-7-4-3-5-8-17/h3-10,15H,11-14,16H2,1-2H3