3-(1,3-benzodioxol-5-ylmethyl)-8-methoxy-5-methyl-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-8-methoxy-5-methyl-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-8-methoxy-5-methyl-pyrimido[5,4-b]indol-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-8-methoxy-5-methyl-4-pyrimido[5,4-b]indolone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-8-methoxy-5-methylpyrimido[5,4-b]indol-4-one Traditional Name: 8-methoxy-5-methyl-3-piperonyl-pyrimid[5,4-b]indol-4-one Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OC)C3=C1C(=O)N(C=N3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C2=C(C=C(C=C2)OC)C3=C1C(=O)N(C=N3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H17N3O4/c1-22-15-5-4-13(25-2)8-14(15)18-19(22)20(24)23(10-21-18)9-12-3-6-16-17(7-12)27-11-26-16/h3-8,10H,9,11H2,1-2H3