2-prop-1-en-2-ylbenzenecarbonitrile; (E)-N,6,6-trimethylhept-2-en-4-yn-1-amine

Systemtic Name: 2-prop-1-en-2-ylbenzenecarbonitrile; (E)-N,6,6-trimethylhept-2-en-4-yn-1-amine Openeye Name: 2-isopropenylbenzonitrile; (E)-N,6,6-trimethylhept-2-en-4-yn-1-amine CAS Name: 2-(1-methylethenyl)benzonitrile; (E)-N,6,6-trimethyl-1-hept-2-en-4-ynamine IUPAC Name: 2-prop-1-en-2-ylbenzonitrile; (E)-N,6,6-trimethylhept-2-en-4-yn-1-amine Traditional Name: [(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amine; 2-isopropenylbenzonitrile Formula: C20H26N2 MolecularWeight: 294.43384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=CC=CC=C1C#N.CC(C)(C)C#CC=CCNC

Isomeric SMILES

CC(=C)C1=CC=CC=C1C#N.CC(C)(C)C#C/C=C/CNC

InChI

InChI=1S/C10H9N.C10H17N/c1-8(2)10-6-4-3-5-9(10)7-11;1-10(2,3)8-6-5-7-9-11-4/h3-6H,1H2,2H3;5,7,11H,9H2,1-4H3/b;7-5+