3-[[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylcyclohexyl]methyl]quinazolin-4-one

Systemtic Name: 3-[[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylcyclohexyl]methyl]quinazolin-4-one Openeye Name: 3-[[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclohexyl]methyl]quinazolin-4-one CAS Name: 3-[[4-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]cyclohexyl]methyl]-4-quinazolinone IUPAC Name: 3-[[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclohexyl]methyl]quinazolin-4-one Traditional Name: 3-[[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclohexyl]methyl]quinazolin-4-one Formula: C28H34N4O2 MolecularWeight: 458.59516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CCC(CC3)CN4C=NC5=CC=CC=C5C4=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CCC(CC3)CN4C=NC5=CC=CC=C5C4=O)C

InChI

InChI=1S/C28H34N4O2/c1-20-6-5-9-26(21(20)2)30-14-16-31(17-15-30)27(33)23-12-10-22(11-13-23)18-32-19-29-25-8-4-3-7-24(25)28(32)34/h3-9,19,22-23H,10-18H2,1-2H3