N-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-3-(4-iodanyl-5-methyl-pyrazol-1-yl)propanamide

Systemtic Name: N-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-3-(4-iodanyl-5-methyl-pyrazol-1-yl)propanamide Openeye Name: N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-3-(4-iodo-5-methyl-pyrazol-1-yl)propanamide CAS Name: N-[3-[(4-bromo-1-pyrazolyl)methyl]phenyl]-3-(4-iodo-5-methyl-1-pyrazolyl)propanamide IUPAC Name: N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-3-(4-iodo-5-methylpyrazol-1-yl)propanamide Traditional Name: N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-3-(4-iodo-5-methyl-pyrazol-1-yl)propionamide Formula: C17H17BrIN5O MolecularWeight: 514.15825

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1CCC(=O)NC2=CC=CC(=C2)CN3C=C(C=N3)Br)I

Isomeric SMILES

CC1=C(C=NN1CCC(=O)NC2=CC=CC(=C2)CN3C=C(C=N3)Br)I

InChI

InChI=1S/C17H17BrIN5O/c1-12-16(19)9-21-24(12)6-5-17(25)22-15-4-2-3-13(7-15)10-23-11-14(18)8-20-23/h2-4,7-9,11H,5-6,10H2,1H3,(H,22,25)