2-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one

Systemtic Name: 2-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one Openeye Name: 2-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-1-methyl-2,3-dihydroquinazolin-4-one CAS Name: 2-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-1-methyl-2,3-dihydroquinazolin-4-one IUPAC Name: 2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1-methyl-2,3-dihydroquinazolin-4-one Traditional Name: 2-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-1-methyl-2,3-dihydroquinazolin-4-one Formula: C21H22N4O MolecularWeight: 346.42558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C3NC(=O)C4=CC=CC=C4N3C

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C3NC(=O)C4=CC=CC=C4N3C

InChI

InChI=1S/C21H22N4O/c1-14-19(15(2)25(23-14)13-16-9-5-4-6-10-16)20-22-21(26)17-11-7-8-12-18(17)24(20)3/h4-12,20H,13H2,1-3H3,(H,22,26)