3-[6-methyl-6-(2-phenylethynyl)cyclohexa-2,4-dien-1-yl]propan-1-amine

Systemtic Name: 3-[6-methyl-6-(2-phenylethynyl)cyclohexa-2,4-dien-1-yl]propan-1-amine Openeye Name: 3-[6-methyl-6-(2-phenylethynyl)cyclohexa-2,4-dien-1-yl]propan-1-amine CAS Name: 3-[6-methyl-6-(2-phenylethynyl)-1-cyclohexa-2,4-dienyl]-1-propanamine IUPAC Name: 3-[6-methyl-6-(2-phenylethynyl)cyclohexa-2,4-dien-1-yl]propan-1-amine Traditional Name: 3-[6-methyl-6-(2-phenylethynyl)cyclohexa-2,4-dien-1-yl]propylamine Formula: C18H21N MolecularWeight: 251.36604

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC=CC1CCCN)C#CC2=CC=CC=C2

Isomeric SMILES

CC1(C=CC=CC1CCCN)C#CC2=CC=CC=C2

InChI

InChI=1S/C18H21N/c1-18(14-12-16-8-3-2-4-9-16)13-6-5-10-17(18)11-7-15-19/h2-6,8-10,13,17H,7,11,15,19H2,1H3