1-(azepan-1-yl)-3-(4-chloranylpyrazol-1-yl)propan-1-one

Systemtic Name: 1-(azepan-1-yl)-3-(4-chloranylpyrazol-1-yl)propan-1-one Openeye Name: 1-(azepan-1-yl)-3-(4-chloropyrazol-1-yl)propan-1-one CAS Name: 1-(1-azepanyl)-3-(4-chloro-1-pyrazolyl)-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-(4-chloropyrazol-1-yl)propan-1-one Traditional Name: 1-(azepan-1-yl)-3-(4-chloropyrazol-1-yl)propan-1-one Formula: C12H18ClN3O MolecularWeight: 255.74382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCN2C=C(C=N2)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)CCN2C=C(C=N2)Cl

InChI

InChI=1S/C12H18ClN3O/c13-11-9-14-16(10-11)8-5-12(17)15-6-3-1-2-4-7-15/h9-10H,1-8H2