1-[(3-fluorophenyl)methyl]-8-methoxy-5-methyl-3-phenethyl-pyrimido[5,4-b]indole-2,4-dione

Systemtic Name: 1-[(3-fluorophenyl)methyl]-8-methoxy-5-methyl-3-phenethyl-pyrimido[5,4-b]indole-2,4-dione Openeye Name: 1-[(3-fluorophenyl)methyl]-8-methoxy-5-methyl-3-phenethyl-pyrimido[5,4-b]indole-2,4-dione CAS Name: 1-[(3-fluorophenyl)methyl]-8-methoxy-5-methyl-3-phenethylpyrimido[5,4-b]indole-2,4-dione IUPAC Name: 1-[(3-fluorophenyl)methyl]-8-methoxy-5-methyl-3-phenethylpyrimido[5,4-b]indole-2,4-dione Traditional Name: 1-(3-fluorobenzyl)-8-methoxy-5-methyl-3-phenethyl-pyrimid[5,4-b]indole-2,4-quinone Formula: C27H24FN3O3 MolecularWeight: 457.496163

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OC)C3=C1C(=O)N(C(=O)N3CC4=CC(=CC=C4)F)CCC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=C(C=C2)OC)C3=C1C(=O)N(C(=O)N3CC4=CC(=CC=C4)F)CCC5=CC=CC=C5

InChI

InChI=1S/C27H24FN3O3/c1-29-23-12-11-21(34-2)16-22(23)24-25(29)26(32)30(14-13-18-7-4-3-5-8-18)27(33)31(24)17-19-9-6-10-20(28)15-19/h3-12,15-16H,13-14,17H2,1-2H3