3-[5-[[4-bromanyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[5-[[4-bromanyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[5-[[4-bromo-1-(m-tolylmethyl)pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[5-[[[4-bromo-1-[(3-methylphenyl)methyl]-3-pyrazolyl]amino]-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[5-[[4-bromo-1-[(3-methylphenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[5-[[4-bromo-1-(3-methylbenzyl)pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propionic acid Formula: C18H18BrN5O3 MolecularWeight: 432.27122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=C(C(=N2)NC(=O)C3=CC=NN3CCC(=O)O)Br

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=C(C(=N2)NC(=O)C3=CC=NN3CCC(=O)O)Br

InChI

InChI=1S/C18H18BrN5O3/c1-12-3-2-4-13(9-12)10-23-11-14(19)17(22-23)21-18(27)15-5-7-20-24(15)8-6-16(25)26/h2-5,7,9,11H,6,8,10H2,1H3,(H,25,26)(H,21,22,27)