1-(azepan-1-yl)-2-[4-(5-methyl-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(5-methyl-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(2-hydroxy-5-methyl-benzoyl)piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[(2-hydroxy-5-methylphenyl)-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(2-hydroxy-5-methyl-benzoyl)piperazino]ethanone Formula: C20H29N3O3 MolecularWeight: 359.46256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)N2CCN(CC2)CC(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)N2CCN(CC2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C20H29N3O3/c1-16-6-7-18(24)17(14-16)20(26)23-12-10-21(11-13-23)15-19(25)22-8-4-2-3-5-9-22/h6-7,14,24H,2-5,8-13,15H2,1H3