2-(5-methyl-2-propan-2-yl-phenoxy)-1-(2-piperazin-1-ylquinazolin-4-yl)ethanone hydrochloride

Systemtic Name: 2-(5-methyl-2-propan-2-yl-phenoxy)-1-(2-piperazin-1-ylquinazolin-4-yl)ethanone hydrochloride Openeye Name: 2-(2-isopropyl-5-methyl-phenoxy)-1-(2-piperazin-1-ylquinazolin-4-yl)ethanone hydrochloride CAS Name: 2-(5-methyl-2-propan-2-ylphenoxy)-1-[2-(1-piperazinyl)-4-quinazolinyl]ethanone hydrochloride IUPAC Name: 2-(5-methyl-2-propan-2-ylphenoxy)-1-(2-piperazin-1-ylquinazolin-4-yl)ethanone hydrochloride Traditional Name: 2-(2-isopropyl-5-methyl-phenoxy)-1-(2-piperazinoquinazolin-4-yl)ethanone hydrochloride Formula: C24H29ClN4O2 MolecularWeight: 440.96566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(=O)C2=NC(=NC3=CC=CC=C32)N4CCNCC4.Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)C2=NC(=NC3=CC=CC=C32)N4CCNCC4.Cl

InChI

InChI=1S/C24H28N4O2.ClH/c1-16(2)18-9-8-17(3)14-22(18)30-15-21(29)23-19-6-4-5-7-20(19)26-24(27-23)28-12-10-25-11-13-28;/h4-9,14,16,25H,10-13,15H2,1-3H3;1H