N-(3-azanylpropyl)-3-fluoranyl-4-methyl-N-[2-methyl-1-[1-(4-methylphenyl)-5-oxidanylidene-4-(phenylmethyl)-1,2,4-triazol-3-yl]propyl]benzamide

Systemtic Name: N-(3-azanylpropyl)-3-fluoranyl-4-methyl-N-[2-methyl-1-[1-(4-methylphenyl)-5-oxidanylidene-4-(phenylmethyl)-1,2,4-triazol-3-yl]propyl]benzamide Openeye Name: N-(3-aminopropyl)-N-[1-[4-benzyl-5-oxo-1-(p-tolyl)-1,2,4-triazol-3-yl]-2-methyl-propyl]-3-fluoro-4-methyl-benzamide CAS Name: N-(3-aminopropyl)-3-fluoro-4-methyl-N-[2-methyl-1-[1-(4-methylphenyl)-5-oxo-4-(phenylmethyl)-1,2,4-triazol-3-yl]propyl]benzamide IUPAC Name: N-(3-aminopropyl)-N-[1-[4-benzyl-1-(4-methylphenyl)-5-oxo-1,2,4-triazol-3-yl]-2-methylpropyl]-3-fluoro-4-methylbenzamide Traditional Name: N-(3-aminopropyl)-N-[1-[4-benzyl-5-keto-1-(p-tolyl)-1,2,4-triazol-3-yl]-2-methyl-propyl]-3-fluoro-4-methyl-benzamide Formula: C31H36FN5O2 MolecularWeight: 529.648243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)N(C(=N2)C(C(C)C)N(CCCN)C(=O)C3=CC(=C(C=C3)C)F)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)N(C(=N2)C(C(C)C)N(CCCN)C(=O)C3=CC(=C(C=C3)C)F)CC4=CC=CC=C4

InChI

InChI=1S/C31H36FN5O2/c1-21(2)28(35(18-8-17-33)30(38)25-14-13-23(4)27(32)19-25)29-34-37(26-15-11-22(3)12-16-26)31(39)36(29)20-24-9-6-5-7-10-24/h5-7,9-16,19,21,28H,8,17-18,20,33H2,1-4H3