3-[[4-[4-(3-chlorophenyl)piperazin-1-yl]carbonylcyclohexyl]methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[4-[4-(3-chlorophenyl)piperazin-1-yl]carbonylcyclohexyl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[4-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]cyclohexyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1,2,3-benzotriazin-4-one Formula: C25H28ClN5O2 MolecularWeight: 465.97512

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=N2)C(=O)N4CCN(CC4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=N2)C(=O)N4CCN(CC4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C25H28ClN5O2/c26-20-4-3-5-21(16-20)29-12-14-30(15-13-29)24(32)19-10-8-18(9-11-19)17-31-25(33)22-6-1-2-7-23(22)27-28-31/h1-7,16,18-19H,8-15,17H2