azepan-1-yl-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone

Systemtic Name: azepan-1-yl-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone Openeye Name: azepan-1-yl-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone CAS Name: 1-azepanyl-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone IUPAC Name: azepan-1-yl-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone Traditional Name: azepan-1-yl-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone Formula: C16H18ClN3O MolecularWeight: 303.78662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN3O/c17-13-7-5-12(6-8-13)15-14(11-18-19-15)16(21)20-9-3-1-2-4-10-20/h5-8,11H,1-4,9-10H2,(H,18,19)