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

Systemtic Name: 4-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]phenyl]carbonyl-1,4-diazepane-1-carbaldehyde Openeye Name: 4-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]benzoyl]-1,4-diazepane-1-carbaldehyde CAS Name: 4-[[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]phenyl]-oxomethyl]-1,4-diazepane-1-carboxaldehyde IUPAC Name: 4-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]benzoyl]-1,4-diazepane-1-carbaldehyde Traditional Name: 4-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]benzoyl]-1,4-diazepane-1-carbaldehyde Formula: C22H21ClN4O2 MolecularWeight: 408.88074

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)C3=NNC(=C3)C4=CC=C(C=C4)Cl)C=O

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)C3=NNC(=C3)C4=CC=C(C=C4)Cl)C=O

InChI

InChI=1S/C22H21ClN4O2/c23-19-8-6-17(7-9-19)21-14-20(24-25-21)16-2-4-18(5-3-16)22(29)27-11-1-10-26(15-28)12-13-27/h2-9,14-15H,1,10-13H2,(H,24,25)