N-[(4-fluorophenyl)methyl]-N'-[2-(3-methylphenyl)-5-phenyl-pyrazol-3-yl]butanediamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-N'-[2-(3-methylphenyl)-5-phenyl-pyrazol-3-yl]butanediamide Openeye Name: N-[(4-fluorophenyl)methyl]-N'-[2-(m-tolyl)-5-phenyl-pyrazol-3-yl]butanediamide CAS Name: N-[(4-fluorophenyl)methyl]-N'-[2-(3-methylphenyl)-5-phenyl-3-pyrazolyl]butanediamide IUPAC Name: N-[(4-fluorophenyl)methyl]-N'-[2-(3-methylphenyl)-5-phenylpyrazol-3-yl]butanediamide Traditional Name: N-(4-fluorobenzyl)-N'-[2-(m-tolyl)-5-phenyl-pyrazol-3-yl]succinamide Formula: C27H25FN4O2 MolecularWeight: 456.511403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=N2)C3=CC=CC=C3)NC(=O)CCC(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=N2)C3=CC=CC=C3)NC(=O)CCC(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C27H25FN4O2/c1-19-6-5-9-23(16-19)32-25(17-24(31-32)21-7-3-2-4-8-21)30-27(34)15-14-26(33)29-18-20-10-12-22(28)13-11-20/h2-13,16-17H,14-15,18H2,1H3,(H,29,33)(H,30,34)