1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-quinazolin-4-yloxy-ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-quinazolin-4-yloxy-ethanone Openeye Name: 1-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-quinazolin-4-yloxy-ethanone CAS Name: 1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)-3-pyrrolyl]-2-(4-quinazolinyloxy)ethanone IUPAC Name: 1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-quinazolin-4-yloxyethanone Traditional Name: 1-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-quinazolin-4-yloxy-ethanone Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)COC3=NC=NC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)COC3=NC=NC4=CC=CC=C43

InChI

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