azepan-1-yl-[5-(4-chlorophenyl)-2-phenyl-pyrazol-3-yl]methanone

Systemtic Name: azepan-1-yl-[5-(4-chlorophenyl)-2-phenyl-pyrazol-3-yl]methanone Openeye Name: azepan-1-yl-[5-(4-chlorophenyl)-2-phenyl-pyrazol-3-yl]methanone CAS Name: 1-azepanyl-[5-(4-chlorophenyl)-2-phenyl-3-pyrazolyl]methanone IUPAC Name: azepan-1-yl-[5-(4-chlorophenyl)-2-phenylpyrazol-3-yl]methanone Traditional Name: azepan-1-yl-[5-(4-chlorophenyl)-2-phenyl-pyrazol-3-yl]methanone Formula: C22H22ClN3O MolecularWeight: 379.88258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H22ClN3O/c23-18-12-10-17(11-13-18)20-16-21(22(27)25-14-6-1-2-7-15-25)26(24-20)19-8-4-3-5-9-19/h3-5,8-13,16H,1-2,6-7,14-15H2