1-(azepan-1-yl)-2-[4-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-[5-methyl-1-(m-tolyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[[5-methyl-1-(3-methylphenyl)-4-pyrazolyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-[5-methyl-1-(m-tolyl)pyrazole-4-carbonyl]piperazino]ethanone Formula: C24H33N5O2 MolecularWeight: 423.55112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=O)N3CCN(CC3)CC(=O)N4CCCCCC4)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=O)N3CCN(CC3)CC(=O)N4CCCCCC4)C

InChI

InChI=1S/C24H33N5O2/c1-19-8-7-9-21(16-19)29-20(2)22(17-25-29)24(31)28-14-12-26(13-15-28)18-23(30)27-10-5-3-4-6-11-27/h7-9,16-17H,3-6,10-15,18H2,1-2H3