4-[4-(1-adamantylcarbamoyl)-5-(1-methylcyclopropyl)pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[4-(1-adamantylcarbamoyl)-5-(1-methylcyclopropyl)pyrazol-1-yl]benzoic acid Openeye Name: 4-[4-(1-adamantylcarbamoyl)-5-(1-methylcyclopropyl)pyrazol-1-yl]benzoic acid CAS Name: 4-[4-[(1-adamantylamino)-oxomethyl]-5-(1-methylcyclopropyl)-1-pyrazolyl]benzoic acid IUPAC Name: 4-[4-(1-adamantylcarbamoyl)-5-(1-methylcyclopropyl)pyrazol-1-yl]benzoic acid Traditional Name: 4-[4-(1-adamantylcarbamoyl)-5-(1-methylcyclopropyl)pyrazol-1-yl]benzoic acid Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1)C2=C(C=NN2C3=CC=C(C=C3)C(=O)O)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1(CC1)C2=C(C=NN2C3=CC=C(C=C3)C(=O)O)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H29N3O3/c1-24(6-7-24)21-20(14-26-28(21)19-4-2-18(3-5-19)23(30)31)22(29)27-25-11-15-8-16(12-25)10-17(9-15)13-25/h2-5,14-17H,6-13H2,1H3,(H,27,29)(H,30,31)