3-[[4-[4-(phenylmethyl)piperazin-1-yl]carbonylcyclohexyl]methyl]quinazolin-4-one

Systemtic Name: 3-[[4-[4-(phenylmethyl)piperazin-1-yl]carbonylcyclohexyl]methyl]quinazolin-4-one Openeye Name: 3-[[4-(4-benzylpiperazine-1-carbonyl)cyclohexyl]methyl]quinazolin-4-one CAS Name: 3-[[4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]cyclohexyl]methyl]-4-quinazolinone IUPAC Name: 3-[[4-(4-benzylpiperazine-1-carbonyl)cyclohexyl]methyl]quinazolin-4-one Traditional Name: 3-[[4-(4-benzylpiperazine-1-carbonyl)cyclohexyl]methyl]quinazolin-4-one Formula: C27H32N4O2 MolecularWeight: 444.56858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C=NC3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CC(CCC1CN2C=NC3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H32N4O2/c32-26(30-16-14-29(15-17-30)18-21-6-2-1-3-7-21)23-12-10-22(11-13-23)19-31-20-28-25-9-5-4-8-24(25)27(31)33/h1-9,20,22-23H,10-19H2