3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-[(2-methylphenyl)methyl]piperazin-2-one

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-[(2-methylphenyl)methyl]piperazin-2-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-4-(o-tolylmethyl)piperazin-2-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-4-[(2-methylphenyl)methyl]-2-piperazinone IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-4-[(2-methylphenyl)methyl]piperazin-2-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-4-(2-methylbenzyl)piperazin-2-one Formula: C20H29N3O2 MolecularWeight: 343.46316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCNC(=O)C2CC(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1CN2CCNC(=O)C2CC(=O)N3CCCCCC3

InChI

InChI=1S/C20H29N3O2/c1-16-8-4-5-9-17(16)15-23-13-10-21-20(25)18(23)14-19(24)22-11-6-2-3-7-12-22/h4-5,8-9,18H,2-3,6-7,10-15H2,1H3,(H,21,25)