N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide

Systemtic Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide Openeye Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide CAS Name: N-[2-[(4-bromophenyl)methyl]-3-pyrazolyl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide IUPAC Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide Traditional Name: N-[2-(4-bromobenzyl)pyrazol-3-yl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide Formula: C22H22BrN3O3 MolecularWeight: 456.33238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C=C/C1=C(C(=CC(=C1)C(=O)NC2=CC=NN2CC3=CC=C(C=C3)Br)OC)OC

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/h4-13H,14H2,1-3H3,(H,25,27)/b5-4+