naphthalen-1-ylmethyl 3-[(4-bromanylpyrazol-1-yl)methyl]benzoate

Systemtic Name: naphthalen-1-ylmethyl 3-[(4-bromanylpyrazol-1-yl)methyl]benzoate Openeye Name: 1-naphthylmethyl 3-[(4-bromopyrazol-1-yl)methyl]benzoate CAS Name: 3-[(4-bromo-1-pyrazolyl)methyl]benzoic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 3-[(4-bromopyrazol-1-yl)methyl]benzoate Traditional Name: 3-[(4-bromopyrazol-1-yl)methyl]benzoic acid 1-naphthylmethyl ester Formula: C22H17BrN2O2 MolecularWeight: 421.28658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2COC(=O)C3=CC(=CC=C3)CN4C=C(C=N4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2COC(=O)C3=CC(=CC=C3)CN4C=C(C=N4)Br

InChI

InChI=1S/C22H17BrN2O2/c23-20-12-24-25(14-20)13-16-5-3-8-18(11-16)22(26)27-15-19-9-4-7-17-6-1-2-10-21(17)19/h1-12,14H,13,15H2