3-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylcyclohexyl]methyl]quinazolin-4-one

Systemtic Name: 3-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylcyclohexyl]methyl]quinazolin-4-one Openeye Name: 3-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]cyclohexyl]methyl]quinazolin-4-one CAS Name: 3-[[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]cyclohexyl]methyl]-4-quinazolinone IUPAC Name: 3-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]cyclohexyl]methyl]quinazolin-4-one Traditional Name: 3-[[4-(4-piperonylpiperazine-1-carbonyl)cyclohexyl]methyl]quinazolin-4-one Formula: C28H32N4O4 MolecularWeight: 488.57808

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C=NC3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CC(CCC1CN2C=NC3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H32N4O4/c33-27(31-13-11-30(12-14-31)16-21-7-10-25-26(15-21)36-19-35-25)22-8-5-20(6-9-22)17-32-18-29-24-4-2-1-3-23(24)28(32)34/h1-4,7,10,15,18,20,22H,5-6,8-9,11-14,16-17,19H2