3-methyl-4-[3-[(3-phenyl-1H-pyrazol-5-yl)methylamino]-1,2,4-triazin-5-yl]benzenecarbonitrile

Systemtic Name: 3-methyl-4-[3-[(3-phenyl-1H-pyrazol-5-yl)methylamino]-1,2,4-triazin-5-yl]benzenecarbonitrile Openeye Name: 3-methyl-4-[3-[(3-phenyl-1H-pyrazol-5-yl)methylamino]-1,2,4-triazin-5-yl]benzonitrile CAS Name: 3-methyl-4-[3-[(3-phenyl-1H-pyrazol-5-yl)methylamino]-1,2,4-triazin-5-yl]benzonitrile IUPAC Name: 3-methyl-4-[3-[(3-phenyl-1H-pyrazol-5-yl)methylamino]-1,2,4-triazin-5-yl]benzonitrile Traditional Name: 3-methyl-4-[3-[(3-phenyl-1H-pyrazol-5-yl)methylamino]-1,2,4-triazin-5-yl]benzonitrile Formula: C21H17N7 MolecularWeight: 367.40658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#N)C2=CN=NC(=N2)NCC3=CC(=NN3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)C#N)C2=CN=NC(=N2)NCC3=CC(=NN3)C4=CC=CC=C4

InChI

InChI=1S/C21H17N7/c1-14-9-15(11-22)7-8-18(14)20-13-24-28-21(25-20)23-12-17-10-19(27-26-17)16-5-3-2-4-6-16/h2-10,13H,12H2,1H3,(H,26,27)(H,23,25,28)