N-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)propyl]-1-[(4-phenylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide Formula: C25H26BrN5O2 MolecularWeight: 508.41024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCNC(=O)C2=NN(C=C2)COC3=CC=C(C=C3)C4=CC=CC=C4)C)Br

Isomeric SMILES

CC1=C(C(=NN1CCCNC(=O)C2=NN(C=C2)COC3=CC=C(C=C3)C4=CC=CC=C4)C)Br

InChI

InChI=1S/C25H26BrN5O2/c1-18-24(26)19(2)31(28-18)15-6-14-27-25(32)23-13-16-30(29-23)17-33-22-11-9-21(10-12-22)20-7-4-3-5-8-20/h3-5,7-13,16H,6,14-15,17H2,1-2H3,(H,27,32)