N-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-4-propoxy-benzamide

Systemtic Name: N-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-4-propoxy-benzamide Openeye Name: N-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-4-propoxy-benzamide CAS Name: N-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-4-propoxybenzamide IUPAC Name: N-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-propoxybenzamide Traditional Name: N-[1-(4-bromobenzyl)-3,5-dimethyl-pyrazol-4-yl]-4-propoxy-benzamide Formula: C22H24BrN3O2 MolecularWeight: 442.34886

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC2=C(N(N=C2C)CC3=CC=C(C=C3)Br)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC2=C(N(N=C2C)CC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C22H24BrN3O2/c1-4-13-28-20-11-7-18(8-12-20)22(27)24-21-15(2)25-26(16(21)3)14-17-5-9-19(23)10-6-17/h5-12H,4,13-14H2,1-3H3,(H,24,27)