N-butyl-2-[4-[1-(3-chlorophenyl)-5-methyl-pyrazol-4-yl]carbonylpiperazin-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-[1-(3-chlorophenyl)-5-methyl-pyrazol-4-yl]carbonylpiperazin-1-yl]ethanamide Openeye Name: N-butyl-2-[4-[1-(3-chlorophenyl)-5-methyl-pyrazole-4-carbonyl]piperazin-1-yl]acetamide CAS Name: N-butyl-2-[4-[[1-(3-chlorophenyl)-5-methyl-4-pyrazolyl]-oxomethyl]-1-piperazinyl]acetamide IUPAC Name: N-butyl-2-[4-[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]piperazin-1-yl]acetamide Traditional Name: N-butyl-2-[4-[1-(3-chlorophenyl)-5-methyl-pyrazole-4-carbonyl]piperazino]acetamide Formula: C21H28ClN5O2 MolecularWeight: 417.93232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC(=CC=C3)Cl)C

Isomeric SMILES

CCCCNC(=O)CN1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C21H28ClN5O2/c1-3-4-8-23-20(28)15-25-9-11-26(12-10-25)21(29)19-14-24-27(16(19)2)18-7-5-6-17(22)13-18/h5-7,13-14H,3-4,8-12,15H2,1-2H3,(H,23,28)