N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-(4-methylphenoxy)butanamide

Systemtic Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-(4-methylphenoxy)butanamide Openeye Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-(4-methylphenoxy)butanamide CAS Name: N-[2-[(4-bromophenyl)methyl]-3-pyrazolyl]-4-(4-methylphenoxy)butanamide IUPAC Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-(4-methylphenoxy)butanamide Traditional Name: N-[2-(4-bromobenzyl)pyrazol-3-yl]-4-(4-methylphenoxy)butyramide Formula: C21H22BrN3O2 MolecularWeight: 428.32228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCC(=O)NC2=CC=NN2CC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)OCCCC(=O)NC2=CC=NN2CC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H22BrN3O2/c1-16-4-10-19(11-5-16)27-14-2-3-21(26)24-20-12-13-23-25(20)15-17-6-8-18(22)9-7-17/h4-13H,2-3,14-15H2,1H3,(H,24,26)