3,3-dimethyl-1-[4-[2-(4-methylphenyl)quinazolin-4-yl]piperazin-1-yl]butan-1-one

Systemtic Name: 3,3-dimethyl-1-[4-[2-(4-methylphenyl)quinazolin-4-yl]piperazin-1-yl]butan-1-one Openeye Name: 3,3-dimethyl-1-[4-[2-(p-tolyl)quinazolin-4-yl]piperazin-1-yl]butan-1-one CAS Name: 3,3-dimethyl-1-[4-[2-(4-methylphenyl)-4-quinazolinyl]-1-piperazinyl]-1-butanone IUPAC Name: 3,3-dimethyl-1-[4-[2-(4-methylphenyl)quinazolin-4-yl]piperazin-1-yl]butan-1-one Traditional Name: 3,3-dimethyl-1-[4-[2-(p-tolyl)quinazolin-4-yl]piperazino]butan-1-one Formula: C25H30N4O MolecularWeight: 402.5319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)N4CCN(CC4)C(=O)CC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)N4CCN(CC4)C(=O)CC(C)(C)C

InChI

InChI=1S/C25H30N4O/c1-18-9-11-19(12-10-18)23-26-21-8-6-5-7-20(21)24(27-23)29-15-13-28(14-16-29)22(30)17-25(2,3)4/h5-12H,13-17H2,1-4H3