4-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]-1,4-diazepane-1-carbaldehyde

Systemtic Name: 4-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]-1,4-diazepane-1-carbaldehyde Openeye Name: 4-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]-1,4-diazepane-1-carbaldehyde CAS Name: 4-[[1-(2,5-dimethylphenyl)-3-phenyl-4-pyrazolyl]methyl]-1,4-diazepane-1-carboxaldehyde IUPAC Name: 4-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]-1,4-diazepane-1-carbaldehyde Traditional Name: 4-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]-1,4-diazepane-1-carbaldehyde Formula: C24H28N4O MolecularWeight: 388.50532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)CN4CCCN(CC4)C=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)CN4CCCN(CC4)C=O

InChI

InChI=1S/C24H28N4O/c1-19-9-10-20(2)23(15-19)28-17-22(24(25-28)21-7-4-3-5-8-21)16-26-11-6-12-27(18-29)14-13-26/h3-5,7-10,15,17-18H,6,11-14,16H2,1-2H3