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

Systemtic Name: 4-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]carbonyl-1,4-diazepane-1-carbaldehyde Openeye Name: 4-[4-(3-phenyl-1H-pyrazol-5-yl)benzoyl]-1,4-diazepane-1-carbaldehyde CAS Name: 4-[oxo-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]methyl]-1,4-diazepane-1-carboxaldehyde IUPAC Name: 4-[4-(3-phenyl-1H-pyrazol-5-yl)benzoyl]-1,4-diazepane-1-carbaldehyde Traditional Name: 4-[4-(3-phenyl-1H-pyrazol-5-yl)benzoyl]-1,4-diazepane-1-carbaldehyde Formula: C22H22N4O2 MolecularWeight: 374.43568

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)C3=CC(=NN3)C4=CC=CC=C4)C=O

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)C3=CC(=NN3)C4=CC=CC=C4)C=O

InChI

InChI=1S/C22H22N4O2/c27-16-25-11-4-12-26(14-13-25)22(28)19-9-7-18(8-10-19)21-15-20(23-24-21)17-5-2-1-3-6-17/h1-3,5-10,15-16H,4,11-14H2,(H,23,24)