N-[1-(1-adamantyl)pyrazol-3-yl]-3-[(4-bromanylphenoxy)methyl]-4-methoxy-benzamide

Systemtic Name: N-[1-(1-adamantyl)pyrazol-3-yl]-3-[(4-bromanylphenoxy)methyl]-4-methoxy-benzamide Openeye Name: N-[1-(1-adamantyl)pyrazol-3-yl]-3-[(4-bromophenoxy)methyl]-4-methoxy-benzamide CAS Name: N-[1-(1-adamantyl)-3-pyrazolyl]-3-[(4-bromophenoxy)methyl]-4-methoxybenzamide IUPAC Name: N-[1-(1-adamantyl)pyrazol-3-yl]-3-[(4-bromophenoxy)methyl]-4-methoxybenzamide Traditional Name: N-[1-(1-adamantyl)pyrazol-3-yl]-3-[(4-bromophenoxy)methyl]-4-methoxy-benzamide Formula: C28H30BrN3O3 MolecularWeight: 536.4601

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4)COC6=CC=C(C=C6)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4)COC6=CC=C(C=C6)Br

InChI

InChI=1S/C28H30BrN3O3/c1-34-25-7-2-21(13-22(25)17-35-24-5-3-23(29)4-6-24)27(33)30-26-8-9-32(31-26)28-14-18-10-19(15-28)12-20(11-18)16-28/h2-9,13,18-20H,10-12,14-17H2,1H3,(H,30,31,33)