2-[4-[1-(3-chlorophenyl)-5-ethyl-pyrazol-4-yl]carbonyl-1,4-diazepan-1-yl]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[4-[1-(3-chlorophenyl)-5-ethyl-pyrazol-4-yl]carbonyl-1,4-diazepan-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-[1-(3-chlorophenyl)-5-ethyl-pyrazole-4-carbonyl]-1,4-diazepan-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[[1-(3-chlorophenyl)-5-ethyl-4-pyrazolyl]-oxomethyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide IUPAC Name: 2-[4-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-[1-(3-chlorophenyl)-5-ethyl-pyrazole-4-carbonyl]-1,4-diazepan-1-yl]-N,N-dimethyl-acetamide Formula: C21H28ClN5O2 MolecularWeight: 417.93232

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)N3CCCN(CC3)CC(=O)N(C)C

Isomeric SMILES

CCC1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)N3CCCN(CC3)CC(=O)N(C)C

InChI

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