(E)-6,6-dimethyl-N-[1-(1-methyl-5-phenyl-pyrazol-3-yl)ethyl]hept-2-en-4-yn-1-amine

Systemtic Name: (E)-6,6-dimethyl-N-[1-(1-methyl-5-phenyl-pyrazol-3-yl)ethyl]hept-2-en-4-yn-1-amine Openeye Name: (E)-6,6-dimethyl-N-[1-(1-methyl-5-phenyl-pyrazol-3-yl)ethyl]hept-2-en-4-yn-1-amine CAS Name: (E)-6,6-dimethyl-N-[1-(1-methyl-5-phenyl-3-pyrazolyl)ethyl]-1-hept-2-en-4-ynamine IUPAC Name: (E)-6,6-dimethyl-N-[1-(1-methyl-5-phenylpyrazol-3-yl)ethyl]hept-2-en-4-yn-1-amine Traditional Name: [(E)-6,6-dimethylhept-2-en-4-ynyl]-[1-(1-methyl-5-phenyl-pyrazol-3-yl)ethyl]amine Formula: C21H27N3 MolecularWeight: 321.45918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN(C(=C1)C2=CC=CC=C2)C)NCC=CC#CC(C)(C)C

Isomeric SMILES

CC(C1=NN(C(=C1)C2=CC=CC=C2)C)NC/C=C/C#CC(C)(C)C

InChI

InChI=1S/C21H27N3/c1-17(22-15-11-7-10-14-21(2,3)4)19-16-20(24(5)23-19)18-12-8-6-9-13-18/h6-9,11-13,16-17,22H,15H2,1-5H3/b11-7+