4-(4-methylphenyl)-2-[4-(phenylmethyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazoline

Systemtic Name: 4-(4-methylphenyl)-2-[4-(phenylmethyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazoline Openeye Name: 2-(4-benzylpiperazin-1-yl)-4-(p-tolyl)-5,6,7,8-tetrahydroquinazoline CAS Name: 4-(4-methylphenyl)-2-[4-(phenylmethyl)-1-piperazinyl]-5,6,7,8-tetrahydroquinazoline IUPAC Name: 2-(4-benzylpiperazin-1-yl)-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinazoline Traditional Name: 2-(4-benzylpiperazino)-4-(p-tolyl)-5,6,7,8-tetrahydroquinazoline Formula: C26H30N4 MolecularWeight: 398.5432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3CCCCC3=NC(=N2)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3CCCCC3=NC(=N2)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H30N4/c1-20-11-13-22(14-12-20)25-23-9-5-6-10-24(23)27-26(28-25)30-17-15-29(16-18-30)19-21-7-3-2-4-8-21/h2-4,7-8,11-14H,5-6,9-10,15-19H2,1H3