(2S)-3-phenethyl-2-[1-(phenylmethyl)pyrazol-4-yl]-1,2-dihydroquinazolin-4-one

Systemtic Name: (2S)-3-phenethyl-2-[1-(phenylmethyl)pyrazol-4-yl]-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-2-(1-benzylpyrazol-4-yl)-3-phenethyl-1,2-dihydroquinazolin-4-one CAS Name: (2S)-3-phenethyl-2-[1-(phenylmethyl)-4-pyrazolyl]-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-2-(1-benzylpyrazol-4-yl)-3-phenethyl-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-2-(1-benzylpyrazol-4-yl)-3-phenethyl-1,2-dihydroquinazolin-4-one Formula: C26H24N4O MolecularWeight: 408.49496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(NC3=CC=CC=C3C2=O)C4=CN(N=C4)CC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CCN2[C@H](NC3=CC=CC=C3C2=O)C4=CN(N=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H24N4O/c31-26-23-13-7-8-14-24(23)28-25(30(26)16-15-20-9-3-1-4-10-20)22-17-27-29(19-22)18-21-11-5-2-6-12-21/h1-14,17,19,25,28H,15-16,18H2/t25-/m0/s1