1-[4-[5-(4-chlorophenyl)-2-phenyl-pyrazol-3-yl]carbonyl-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-[4-[5-(4-chlorophenyl)-2-phenyl-pyrazol-3-yl]carbonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-[5-(4-chlorophenyl)-2-phenyl-pyrazole-3-carbonyl]-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-[[5-(4-chlorophenyl)-2-phenyl-3-pyrazolyl]-oxomethyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-[5-(4-chlorophenyl)-2-phenylpyrazole-3-carbonyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-[5-(4-chlorophenyl)-2-phenyl-pyrazole-3-carbonyl]-1,4-diazepan-1-yl]ethanone Formula: C23H23ClN4O2 MolecularWeight: 422.90732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(=O)N1CCCN(CC1)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H23ClN4O2/c1-17(29)26-12-5-13-27(15-14-26)23(30)22-16-21(18-8-10-19(24)11-9-18)25-28(22)20-6-3-2-4-7-20/h2-4,6-11,16H,5,12-15H2,1H3