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

Systemtic Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane CAS Name: 1-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane Formula: C22H30N6 MolecularWeight: 378.5138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CCCN(CC3)CC4=NC=CN4C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CCCN(CC3)CC4=NC=CN4C

InChI

InChI=1S/C22H30N6/c1-18-21(19(2)28(24-18)20-8-5-4-6-9-20)16-26-11-7-12-27(15-14-26)17-22-23-10-13-25(22)3/h4-6,8-10,13H,7,11-12,14-17H2,1-3H3