4-[4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]phenyl]carbonyl-1,4-diazepane-1-carbaldehyde

Systemtic Name: 4-[4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]phenyl]carbonyl-1,4-diazepane-1-carbaldehyde Openeye Name: 4-[4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]benzoyl]-1,4-diazepane-1-carbaldehyde CAS Name: 4-[[4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]phenyl]-oxomethyl]-1,4-diazepane-1-carboxaldehyde IUPAC Name: 4-[4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]benzoyl]-1,4-diazepane-1-carbaldehyde Traditional Name: 4-[4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]benzoyl]-1,4-diazepane-1-carbaldehyde Formula: C22H20Cl2N4O2 MolecularWeight: 443.3258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20Cl2N4O2/c23-17-6-7-18(19(24)12-17)21-13-20(25-26-21)15-2-4-16(5-3-15)22(30)28-9-1-8-27(14-29)10-11-28/h2-7,12-14H,1,8-11H2,(H,25,26)