[3-(azepan-1-ylcarbonyl)pyrazol-1-yl]-(4-chlorophenyl)methanone

Systemtic Name: [3-(azepan-1-ylcarbonyl)pyrazol-1-yl]-(4-chlorophenyl)methanone Openeye Name: [3-(azepane-1-carbonyl)pyrazol-1-yl]-(4-chlorophenyl)methanone CAS Name: [3-[1-azepanyl(oxo)methyl]-1-pyrazolyl]-(4-chlorophenyl)methanone IUPAC Name: [3-(azepane-1-carbonyl)pyrazol-1-yl]-(4-chlorophenyl)methanone Traditional Name: [3-(azepane-1-carbonyl)pyrazol-1-yl]-(4-chlorophenyl)methanone Formula: C17H18ClN3O2 MolecularWeight: 331.79672

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=NN(C=C2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=NN(C=C2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H18ClN3O2/c18-14-7-5-13(6-8-14)16(22)21-12-9-15(19-21)17(23)20-10-3-1-2-4-11-20/h5-9,12H,1-4,10-11H2