azepan-1-yl-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methanone

Systemtic Name: azepan-1-yl-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methanone Openeye Name: azepan-1-yl-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methanone CAS Name: 1-azepanyl-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methanone IUPAC Name: azepan-1-yl-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanone Traditional Name: azepan-1-yl-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methanone Formula: C17H20ClN3O MolecularWeight: 317.8132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N2CCCCCC2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)N2CCCCCC2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C17H20ClN3O/c1-13-15(17(22)20-11-7-2-3-8-12-20)16(18)21(19-13)14-9-5-4-6-10-14/h4-6,9-10H,2-3,7-8,11-12H2,1H3