1-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]cinnolin-4-one

Systemtic Name: 1-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]cinnolin-4-one Openeye Name: 1-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]cinnolin-4-one CAS Name: 1-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]-4-cinnolinone IUPAC Name: 1-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]cinnolin-4-one Traditional Name: 1-[2-keto-2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]ethyl]cinnolin-4-one Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=C(C=C2)OC)C)C(=O)CN3C4=CC=CC=C4C(=O)C=N3

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=C(C=C2)OC)C)C(=O)CN3C4=CC=CC=C4C(=O)C=N3

InChI

InChI=1S/C25H25N3O3/c1-17-14-22(18(2)27(17)13-12-19-8-10-20(31-3)11-9-19)25(30)16-28-23-7-5-4-6-21(23)24(29)15-26-28/h4-11,14-15H,12-13,16H2,1-3H3