3-[5,6-dimethyl-6-(2-phenylethynyl)cyclohexa-2,4-dien-1-yl]propan-1-amine

Systemtic Name: 3-[5,6-dimethyl-6-(2-phenylethynyl)cyclohexa-2,4-dien-1-yl]propan-1-amine Openeye Name: 3-[5,6-dimethyl-6-(2-phenylethynyl)cyclohexa-2,4-dien-1-yl]propan-1-amine CAS Name: 3-[5,6-dimethyl-6-(2-phenylethynyl)-1-cyclohexa-2,4-dienyl]-1-propanamine IUPAC Name: 3-[5,6-dimethyl-6-(2-phenylethynyl)cyclohexa-2,4-dien-1-yl]propan-1-amine Traditional Name: 3-[5,6-dimethyl-6-(2-phenylethynyl)cyclohexa-2,4-dien-1-yl]propylamine Formula: C19H23N MolecularWeight: 265.39262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(C1(C)C#CC2=CC=CC=C2)CCCN

Isomeric SMILES

CC1=CC=CC(C1(C)C#CC2=CC=CC=C2)CCCN

InChI

InChI=1S/C19H23N/c1-16-8-6-11-18(12-7-15-20)19(16,2)14-13-17-9-4-3-5-10-17/h3-6,8-11,18H,7,12,15,20H2,1-2H3