azepan-1-yl-[4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)phenyl]methanone

Systemtic Name: azepan-1-yl-[4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)phenyl]methanone Openeye Name: azepan-1-yl-[4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)phenyl]methanone CAS Name: 1-azepanyl-[4-(4-chloro-3,5-dimethyl-1-pyrazolyl)phenyl]methanone IUPAC Name: azepan-1-yl-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methanone Traditional Name: azepan-1-yl-[4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)phenyl]methanone Formula: C18H22ClN3O MolecularWeight: 331.83978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)N3CCCCCC3)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)N3CCCCCC3)C)Cl

InChI

InChI=1S/C18H22ClN3O/c1-13-17(19)14(2)22(20-13)16-9-7-15(8-10-16)18(23)21-11-5-3-4-6-12-21/h7-10H,3-6,11-12H2,1-2H3