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

Systemtic Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-(furan-2-ylmethyl)-1,4-diazepane Openeye Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-(2-furylmethyl)-1,4-diazepane CAS Name: 1-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-4-(2-furanylmethyl)-1,4-diazepane IUPAC Name: 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(furan-2-ylmethyl)-1,4-diazepane Traditional Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-(2-furfuryl)-1,4-diazepane Formula: C22H28N4O MolecularWeight: 364.48392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CCCN(CC3)CC4=CC=CO4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CCCN(CC3)CC4=CC=CO4

InChI

InChI=1S/C22H28N4O/c1-18-22(19(2)26(23-18)20-8-4-3-5-9-20)17-25-12-7-11-24(13-14-25)16-21-10-6-15-27-21/h3-6,8-10,15H,7,11-14,16-17H2,1-2H3