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

Systemtic Name: 1-[(4-ethenylphenyl)methyl]-8-methoxy-5-methyl-3-(phenylmethyl)pyrimido[5,4-b]indole-2,4-dione Openeye Name: 3-benzyl-8-methoxy-5-methyl-1-[(4-vinylphenyl)methyl]pyrimido[5,4-b]indole-2,4-dione CAS Name: 1-[(4-ethenylphenyl)methyl]-8-methoxy-5-methyl-3-(phenylmethyl)pyrimido[5,4-b]indole-2,4-dione IUPAC Name: 3-benzyl-1-[(4-ethenylphenyl)methyl]-8-methoxy-5-methylpyrimido[5,4-b]indole-2,4-dione Traditional Name: 3-benzyl-8-methoxy-5-methyl-1-(4-vinylbenzyl)pyrimid[5,4-b]indole-2,4-quinone Formula: C28H25N3O3 MolecularWeight: 451.5164

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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=C(C=C4)C=C)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=C(C=C2)OC)C3=C1C(=O)N(C(=O)N3CC4=CC=C(C=C4)C=C)CC5=CC=CC=C5

InChI

InChI=1S/C28H25N3O3/c1-4-19-10-12-21(13-11-19)17-30-25-23-16-22(34-3)14-15-24(23)29(2)26(25)27(32)31(28(30)33)18-20-8-6-5-7-9-20/h4-16H,1,17-18H2,2-3H3