2-[5-[(4-bromophenyl)carbonylamino]-3-methyl-pyrazol-1-yl]ethyl 4-bromanylbenzoate

Systemtic Name: 2-[5-[(4-bromophenyl)carbonylamino]-3-methyl-pyrazol-1-yl]ethyl 4-bromanylbenzoate Openeye Name: 2-[5-[(4-bromobenzoyl)amino]-3-methyl-pyrazol-1-yl]ethyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid 2-[5-[[(4-bromophenyl)-oxomethyl]amino]-3-methyl-1-pyrazolyl]ethyl ester IUPAC Name: 2-[5-[(4-bromobenzoyl)amino]-3-methylpyrazol-1-yl]ethyl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid 2-[5-[(4-bromobenzoyl)amino]-3-methyl-pyrazol-1-yl]ethyl ester Formula: C20H17Br2N3O3 MolecularWeight: 507.17528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)Br)CCOC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)Br)CCOC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H17Br2N3O3/c1-13-12-18(23-19(26)14-2-6-16(21)7-3-14)25(24-13)10-11-28-20(27)15-4-8-17(22)9-5-15/h2-9,12H,10-11H2,1H3,(H,23,26)