N-[1-(3-bromanyl-4-methoxy-phenyl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide

Systemtic Name: N-[1-(3-bromanyl-4-methoxy-phenyl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide Openeye Name: N-[1-(3-bromo-4-methoxy-phenyl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide CAS Name: N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-(1-phenyl-4-pyrazolyl)propanamide IUPAC Name: N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide Traditional Name: N-[1-(3-bromo-4-methoxy-phenyl)ethyl]-3-(1-phenylpyrazol-4-yl)propionamide Formula: C21H22BrN3O2 MolecularWeight: 428.32228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OC)Br)NC(=O)CCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C1=CC(=C(C=C1)OC)Br)NC(=O)CCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H22BrN3O2/c1-15(17-9-10-20(27-2)19(22)12-17)24-21(26)11-8-16-13-23-25(14-16)18-6-4-3-5-7-18/h3-7,9-10,12-15H,8,11H2,1-2H3,(H,24,26)