4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-1,4-diazepane-1-carbaldehyde

Systemtic Name: 4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-1,4-diazepane-1-carbaldehyde Openeye Name: 4-[[3-(3-fluorophenyl)-1-(m-tolyl)pyrazol-4-yl]methyl]-1,4-diazepane-1-carbaldehyde CAS Name: 4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)-4-pyrazolyl]methyl]-1,4-diazepane-1-carboxaldehyde IUPAC Name: 4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-1,4-diazepane-1-carbaldehyde Traditional Name: 4-[[3-(3-fluorophenyl)-1-(m-tolyl)pyrazol-4-yl]methyl]-1,4-diazepane-1-carbaldehyde Formula: C23H25FN4O MolecularWeight: 392.469203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25FN4O/c1-18-5-2-8-22(13-18)28-16-20(15-26-9-4-10-27(17-29)12-11-26)23(25-28)19-6-3-7-21(24)14-19/h2-3,5-8,13-14,16-17H,4,9-12,15H2,1H3