2-(4-bromanylpyrazol-1-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]butanamide

Systemtic Name: 2-(4-bromanylpyrazol-1-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]butanamide Openeye Name: 2-(4-bromopyrazol-1-yl)-N-[1-(o-tolylmethyl)pyrazol-4-yl]butanamide CAS Name: 2-(4-bromo-1-pyrazolyl)-N-[1-[(2-methylphenyl)methyl]-4-pyrazolyl]butanamide IUPAC Name: 2-(4-bromopyrazol-1-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]butanamide Traditional Name: 2-(4-bromopyrazol-1-yl)-N-[1-(2-methylbenzyl)pyrazol-4-yl]butyramide Formula: C18H20BrN5O MolecularWeight: 402.2883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CN(N=C1)CC2=CC=CC=C2C)N3C=C(C=N3)Br

Isomeric SMILES

CCC(C(=O)NC1=CN(N=C1)CC2=CC=CC=C2C)N3C=C(C=N3)Br

InChI

InChI=1S/C18H20BrN5O/c1-3-17(24-11-15(19)8-21-24)18(25)22-16-9-20-23(12-16)10-14-7-5-4-6-13(14)2/h4-9,11-12,17H,3,10H2,1-2H3,(H,22,25)