N-[3-(4-bromanylpyrazol-1-yl)propyl]-3-[(2,5-dimethylphenoxy)methyl]-4-methoxy-benzamide

Systemtic Name: N-[3-(4-bromanylpyrazol-1-yl)propyl]-3-[(2,5-dimethylphenoxy)methyl]-4-methoxy-benzamide Openeye Name: N-[3-(4-bromopyrazol-1-yl)propyl]-3-[(2,5-dimethylphenoxy)methyl]-4-methoxy-benzamide CAS Name: N-[3-(4-bromo-1-pyrazolyl)propyl]-3-[(2,5-dimethylphenoxy)methyl]-4-methoxybenzamide IUPAC Name: N-[3-(4-bromopyrazol-1-yl)propyl]-3-[(2,5-dimethylphenoxy)methyl]-4-methoxybenzamide Traditional Name: N-[3-(4-bromopyrazol-1-yl)propyl]-3-[(2,5-dimethylphenoxy)methyl]-4-methoxy-benzamide Formula: C23H26BrN3O3 MolecularWeight: 472.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC2=C(C=CC(=C2)C(=O)NCCCN3C=C(C=N3)Br)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC2=C(C=CC(=C2)C(=O)NCCCN3C=C(C=N3)Br)OC

InChI

InChI=1S/C23H26BrN3O3/c1-16-5-6-17(2)22(11-16)30-15-19-12-18(7-8-21(19)29-3)23(28)25-9-4-10-27-14-20(24)13-26-27/h5-8,11-14H,4,9-10,15H2,1-3H3,(H,25,28)