N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3,4-dimethoxy-5-prop-2-enyl-benzamide

Systemtic Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3,4-dimethoxy-5-prop-2-enyl-benzamide Openeye Name: 3-allyl-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-4,5-dimethoxy-benzamide CAS Name: N-[2-[(4-bromophenyl)methyl]-3-pyrazolyl]-3,4-dimethoxy-5-prop-2-enylbenzamide IUPAC Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3,4-dimethoxy-5-prop-2-enylbenzamide Traditional Name: 3-allyl-N-[2-(4-bromobenzyl)pyrazol-3-yl]-4,5-dimethoxy-benzamide Formula: C22H22BrN3O3 MolecularWeight: 456.33238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)CC=C)C(=O)NC2=CC=NN2CC3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)CC=C)C(=O)NC2=CC=NN2CC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H22BrN3O3/c1-4-5-16-12-17(13-19(28-2)21(16)29-3)22(27)25-20-10-11-24-26(20)14-15-6-8-18(23)9-7-15/h4,6-13H,1,5,14H2,2-3H3,(H,25,27)