2-[4-[[4-bromanyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]ethanoic acid

Systemtic Name: 2-[4-[[4-bromanyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]ethanoic acid Openeye Name: 2-[4-[[4-bromo-1-(m-tolylmethyl)pyrazol-3-yl]carbamoyl]pyrazol-1-yl]acetic acid CAS Name: 2-[4-[[[4-bromo-1-[(3-methylphenyl)methyl]-3-pyrazolyl]amino]-oxomethyl]-1-pyrazolyl]acetic acid IUPAC Name: 2-[4-[[4-bromo-1-[(3-methylphenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]acetic acid Traditional Name: 2-[4-[[4-bromo-1-(3-methylbenzyl)pyrazol-3-yl]carbamoyl]pyrazol-1-yl]acetic acid Formula: C17H16BrN5O3 MolecularWeight: 418.24464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=C(C(=N2)NC(=O)C3=CN(N=C3)CC(=O)O)Br

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=C(C(=N2)NC(=O)C3=CN(N=C3)CC(=O)O)Br

InChI

InChI=1S/C17H16BrN5O3/c1-11-3-2-4-12(5-11)7-23-9-14(18)16(21-23)20-17(26)13-6-19-22(8-13)10-15(24)25/h2-6,8-9H,7,10H2,1H3,(H,24,25)(H,20,21,26)