N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-(benzotriazol-1-ylmethyl)benzamide

Systemtic Name: N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-(benzotriazol-1-ylmethyl)benzamide Openeye Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-(benzotriazol-1-ylmethyl)benzamide CAS Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propyl]-4-(1-benzotriazolylmethyl)benzamide IUPAC Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-(benzotriazol-1-ylmethyl)benzamide Traditional Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-(benzotriazol-1-ylmethyl)benzamide Formula: C27H23FN8O MolecularWeight: 494.522923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CC3=CC=C(C=C3)C(=O)NCCCC4=NN(C(=C4C#N)N)C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CC3=CC=C(C=C3)C(=O)NCCCC4=NN(C(=C4C#N)N)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H23FN8O/c28-20-11-13-21(14-12-20)36-26(30)22(16-29)23(33-36)5-3-15-31-27(37)19-9-7-18(8-10-19)17-35-25-6-2-1-4-24(25)32-34-35/h1-2,4,6-14H,3,5,15,17,30H2,(H,31,37)