N-[2-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylamino]-2-oxidanylidene-ethyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[2-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylamino]-2-oxidanylidene-ethyl]-3,5-dimethyl-benzamide Openeye Name: N-[2-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylamino]-2-oxo-ethyl]-3,5-dimethyl-benzamide CAS Name: N-[2-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methylamino]-2-oxoethyl]-3,5-dimethylbenzamide IUPAC Name: N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]-3,5-dimethylbenzamide Traditional Name: N-[2-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylamino]-2-keto-ethyl]-3,5-dimethyl-benzamide Formula: C27H25FN4O2 MolecularWeight: 456.511403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NCC(=O)NCC2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NCC(=O)NCC2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4)C

InChI

InChI=1S/C27H25FN4O2/c1-18-12-19(2)14-21(13-18)27(34)30-16-25(33)29-15-22-17-32(24-6-4-3-5-7-24)31-26(22)20-8-10-23(28)11-9-20/h3-14,17H,15-16H2,1-2H3,(H,29,33)(H,30,34)