5-methyl-2-phenyl-4-[[(3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-yl)amino]methyl]-1H-pyrazol-3-one

Systemtic Name: 5-methyl-2-phenyl-4-[[(3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-yl)amino]methyl]-1H-pyrazol-3-one Openeye Name: 5-methyl-2-phenyl-4-[[(3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-yl)amino]methyl]-1H-pyrazol-3-one CAS Name: 5-methyl-2-phenyl-4-[[[3-(1-pyrrolidinyl)-1H-1,2,4-triazol-5-yl]amino]methyl]-1H-pyrazol-3-one IUPAC Name: 5-methyl-2-phenyl-4-[[(3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-yl)amino]methyl]-1H-pyrazol-3-one Traditional Name: 5-methyl-2-phenyl-4-[[(3-pyrrolidino-1H-1,2,4-triazol-5-yl)amino]methyl]-3-pyrazolin-3-one Formula: C17H21N7O MolecularWeight: 339.39494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)CNC3=NC(=NN3)N4CCCC4

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)CNC3=NC(=NN3)N4CCCC4

InChI

InChI=1S/C17H21N7O/c1-12-14(15(25)24(22-12)13-7-3-2-4-8-13)11-18-16-19-17(21-20-16)23-9-5-6-10-23/h2-4,7-8,22H,5-6,9-11H2,1H3,(H2,18,19,20,21)