4-[[4-(3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carbonyl)piperazino]methyl]benzonitrile Formula: C25H23N5OS MolecularWeight: 441.54802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N)C5=CC=CC=C5

InChI

InChI=1S/C25H23N5OS/c1-18-22-15-23(32-25(22)30(27-18)21-5-3-2-4-6-21)24(31)29-13-11-28(12-14-29)17-20-9-7-19(16-26)8-10-20/h2-10,15H,11-14,17H2,1H3