3-[5-azanyl-4-[3,5-bis(fluoranyl)phenyl]carbonyl-pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide

Systemtic Name: 3-[5-azanyl-4-[3,5-bis(fluoranyl)phenyl]carbonyl-pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide Openeye Name: 3-[5-amino-4-(3,5-difluorobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide CAS Name: 3-[5-amino-4-[(3,5-difluorophenyl)-oxomethyl]-1-pyrazolyl]-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-[5-amino-4-(3,5-difluorobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-[5-amino-4-(3,5-difluorobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide Formula: C21H18F2N4O2 MolecularWeight: 396.390026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C(=C(C=N3)C(=O)C4=CC(=CC(=C4)F)F)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C(=C(C=N3)C(=O)C4=CC(=CC(=C4)F)F)N

InChI

InChI=1S/C21H18F2N4O2/c1-11-2-3-12(21(29)26-16-4-5-16)8-18(11)27-20(24)17(10-25-27)19(28)13-6-14(22)9-15(23)7-13/h2-3,6-10,16H,4-5,24H2,1H3,(H,26,29)