4-(cyclohexylmethyl)-3-[2-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]piperazin-2-one

Systemtic Name: 4-(cyclohexylmethyl)-3-[2-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]piperazin-2-one Openeye Name: 4-(cyclohexylmethyl)-3-[2-[4-(o-tolyl)-1,4-diazepan-1-yl]-2-oxo-ethyl]piperazin-2-one CAS Name: 4-(cyclohexylmethyl)-3-[2-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]-2-piperazinone IUPAC Name: 4-(cyclohexylmethyl)-3-[2-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]piperazin-2-one Traditional Name: 4-(cyclohexylmethyl)-3-[2-keto-2-[4-(o-tolyl)-1,4-diazepan-1-yl]ethyl]piperazin-2-one Formula: C25H38N4O2 MolecularWeight: 426.59482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCCN(CC2)C(=O)CC3C(=O)NCCN3CC4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1N2CCCN(CC2)C(=O)CC3C(=O)NCCN3CC4CCCCC4

InChI

InChI=1S/C25H38N4O2/c1-20-8-5-6-11-22(20)27-13-7-14-28(17-16-27)24(30)18-23-25(31)26-12-15-29(23)19-21-9-3-2-4-10-21/h5-6,8,11,21,23H,2-4,7,9-10,12-19H2,1H3,(H,26,31)