5-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-2-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: 5-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-2-phenyl-triazole-4-carboxamide CAS Name: 5-methyl-N-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-2-phenyl-4-triazolecarboxamide IUPAC Name: 5-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-2-phenyltriazole-4-carboxamide Traditional Name: N-[3-(isobutyrylamino)benzyl]-5-methyl-2-phenyl-triazole-4-carboxamide Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)NCC2=CC(=CC=C2)NC(=O)C(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(N=C1C(=O)NCC2=CC(=CC=C2)NC(=O)C(C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H23N5O2/c1-14(2)20(27)23-17-9-7-8-16(12-17)13-22-21(28)19-15(3)24-26(25-19)18-10-5-4-6-11-18/h4-12,14H,13H2,1-3H3,(H,22,28)(H,23,27)