N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)butanamide

Systemtic Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)butanamide Openeye Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-(2-methyl-4-oxo-quinazolin-3-yl)butanamide CAS Name: N-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl]-4-(2-methyl-4-oxo-3-quinazolinyl)butanamide IUPAC Name: N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)butanamide Traditional Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-(4-keto-2-methyl-quinazolin-3-yl)butyramide Formula: C29H26FN5O2 MolecularWeight: 495.547443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1CCCC(=O)NCC3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1CCCC(=O)NCC3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C29H26FN5O2/c1-20-32-26-11-6-5-10-25(26)29(37)34(20)17-7-12-27(36)31-18-22-19-35(24-8-3-2-4-9-24)33-28(22)21-13-15-23(30)16-14-21/h2-6,8-11,13-16,19H,7,12,17-18H2,1H3,(H,31,36)