2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]quinazolin-4-one CAS Name: 2-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]quinazolin-4-one Traditional Name: 3-benzyl-2-[4-(2,5-dimethylphenyl)piperazino]quinazolin-4-one Formula: C27H28N4O MolecularWeight: 424.53742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C27H28N4O/c1-20-12-13-21(2)25(18-20)29-14-16-30(17-15-29)27-28-24-11-7-6-10-23(24)26(32)31(27)19-22-8-4-3-5-9-22/h3-13,18H,14-17,19H2,1-2H3