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

Systemtic Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-pyrimidin-2-yl-1,4-diazepane Openeye Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-pyrimidin-2-yl-1,4-diazepane CAS Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-pyrimidinyl)-1,4-diazepane IUPAC Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-pyrimidin-2-yl-1,4-diazepane Traditional Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-pyrimidyl)-1,4-diazepane Formula: C21H26N6 MolecularWeight: 362.47134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C=NN2)CN3CCCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C=NN2)CN3CCCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C21H26N6/c1-16-5-6-18(13-17(16)2)20-19(14-24-25-20)15-26-9-4-10-27(12-11-26)21-22-7-3-8-23-21/h3,5-8,13-14H,4,9-12,15H2,1-2H3,(H,24,25)