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

Systemtic Name: 1-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]cinnolin-4-one Openeye Name: 1-[2-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-oxo-ethyl]cinnolin-4-one CAS Name: 1-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)-3-pyrrolyl]-2-oxoethyl]-4-cinnolinone IUPAC Name: 1-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxoethyl]cinnolin-4-one Traditional Name: 1-[2-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-keto-ethyl]cinnolin-4-one Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)CN3C4=CC=CC=C4C(=O)C=N3

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)CN3C4=CC=CC=C4C(=O)C=N3

InChI

InChI=1S/C22H21N3O2S/c1-15-12-19(16(2)24(15)10-9-17-6-5-11-28-17)22(27)14-25-20-8-4-3-7-18(20)21(26)13-23-25/h3-8,11-13H,9-10,14H2,1-2H3