4-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]phenyl]carbonyl-1,4-diazepane-1-carbaldehyde

Systemtic Name: 4-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]phenyl]carbonyl-1,4-diazepane-1-carbaldehyde Openeye Name: 4-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzoyl]-1,4-diazepane-1-carbaldehyde CAS Name: 4-[[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]phenyl]-oxomethyl]-1,4-diazepane-1-carboxaldehyde IUPAC Name: 4-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzoyl]-1,4-diazepane-1-carbaldehyde Traditional Name: 4-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzoyl]-1,4-diazepane-1-carbaldehyde Formula: C23H24N4O3 MolecularWeight: 404.46166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NNC(=C2)C3=CC=C(C=C3)C(=O)N4CCCN(CC4)C=O

Isomeric SMILES

COC1=CC=CC(=C1)C2=NNC(=C2)C3=CC=C(C=C3)C(=O)N4CCCN(CC4)C=O

InChI

InChI=1S/C23H24N4O3/c1-30-20-5-2-4-19(14-20)22-15-21(24-25-22)17-6-8-18(9-7-17)23(29)27-11-3-10-26(16-28)12-13-27/h2,4-9,14-16H,3,10-13H2,1H3,(H,24,25)