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

Systemtic Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane Openeye Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-(3-thienylmethyl)-1,4-diazepane CAS Name: 1-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-4-(3-thiophenylmethyl)-1,4-diazepane IUPAC Name: 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane Traditional Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-(3-thenyl)-1,4-diazepane Formula: C22H28N4S MolecularWeight: 380.54952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CCCN(CC3)CC4=CSC=C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CCCN(CC3)CC4=CSC=C4

InChI

InChI=1S/C22H28N4S/c1-18-22(19(2)26(23-18)21-7-4-3-5-8-21)16-25-11-6-10-24(12-13-25)15-20-9-14-27-17-20/h3-5,7-9,14,17H,6,10-13,15-16H2,1-2H3