3-[(4-bromanylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide

Systemtic Name: 3-[(4-bromanylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide Openeye Name: 3-[(4-bromophenoxy)methyl]-N-[1-(o-tolylmethyl)pyrazol-4-yl]benzamide CAS Name: 3-[(4-bromophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]-4-pyrazolyl]benzamide IUPAC Name: 3-[(4-bromophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide Traditional Name: 3-[(4-bromophenoxy)methyl]-N-[1-(2-methylbenzyl)pyrazol-4-yl]benzamide Formula: C25H22BrN3O2 MolecularWeight: 476.36508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C(C=N2)NC(=O)C3=CC(=CC=C3)COC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(C=N2)NC(=O)C3=CC(=CC=C3)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C25H22BrN3O2/c1-18-5-2-3-7-21(18)15-29-16-23(14-27-29)28-25(30)20-8-4-6-19(13-20)17-31-24-11-9-22(26)10-12-24/h2-14,16H,15,17H2,1H3,(H,28,30)