2-[3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-pyrimido[5,4-b]indol-5-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-pyrimido[5,4-b]indol-5-yl]-N-phenethyl-ethanamide Openeye Name: 2-[3-[(4-methoxyphenyl)methyl]-4-oxo-pyrimido[5,4-b]indol-5-yl]-N-phenethyl-acetamide CAS Name: 2-[3-[(4-methoxyphenyl)methyl]-4-oxo-5-pyrimido[5,4-b]indolyl]-N-phenethylacetamide IUPAC Name: 2-[3-[(4-methoxyphenyl)methyl]-4-oxopyrimido[5,4-b]indol-5-yl]-N-phenethylacetamide Traditional Name: 2-(4-keto-3-p-anisyl-pyrimid[5,4-b]indol-5-yl)-N-phenethyl-acetamide Formula: C28H26N4O3 MolecularWeight: 466.53104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C=NC3=C(C2=O)N(C4=CC=CC=C43)CC(=O)NCCC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)CN2C=NC3=C(C2=O)N(C4=CC=CC=C43)CC(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C28H26N4O3/c1-35-22-13-11-21(12-14-22)17-31-19-30-26-23-9-5-6-10-24(23)32(27(26)28(31)34)18-25(33)29-16-15-20-7-3-2-4-8-20/h2-14,19H,15-18H2,1H3,(H,29,33)