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

Systemtic Name: 3-[5-azanyl-4-[3,4-bis(fluoranyl)phenyl]carbonyl-pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide Openeye Name: 3-[5-amino-4-(3,4-difluorobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide CAS Name: 3-[5-amino-4-[(3,4-difluorophenyl)-oxomethyl]-1-pyrazolyl]-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-[5-amino-4-(3,4-difluorobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-[5-amino-4-(3,4-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(=C(C=C4)F)F)N

Isomeric SMILES

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

InChI

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