(2S)-2-[[5-(4-cyclohexylphenyl)-1,2,4-triazin-3-yl]amino]-4-methyl-pentanamide

Systemtic Name: (2S)-2-[[5-(4-cyclohexylphenyl)-1,2,4-triazin-3-yl]amino]-4-methyl-pentanamide Openeye Name: (2S)-2-[[5-(4-cyclohexylphenyl)-1,2,4-triazin-3-yl]amino]-4-methyl-pentanamide CAS Name: (2S)-2-[[5-(4-cyclohexylphenyl)-1,2,4-triazin-3-yl]amino]-4-methylpentanamide IUPAC Name: (2S)-2-[[5-(4-cyclohexylphenyl)-1,2,4-triazin-3-yl]amino]-4-methylpentanamide Traditional Name: (2S)-2-[[5-(4-cyclohexylphenyl)-1,2,4-triazin-3-yl]amino]-4-methyl-valeramide Formula: C21H29N5O MolecularWeight: 367.48786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)NC1=NC(=CN=N1)C2=CC=C(C=C2)C3CCCCC3

Isomeric SMILES

CC(C)C[C@@H](C(=O)N)NC1=NC(=CN=N1)C2=CC=C(C=C2)C3CCCCC3

InChI

InChI=1S/C21H29N5O/c1-14(2)12-18(20(22)27)24-21-25-19(13-23-26-21)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-11,13-15,18H,3-7,12H2,1-2H3,(H2,22,27)(H,24,25,26)/t18-/m0/s1