6-[3-(aminomethyl)phenyl]-N-[2-(1H-imidazol-5-yl)ethyl]hex-5-ynamide

Systemtic Name: 6-[3-(aminomethyl)phenyl]-N-[2-(1H-imidazol-5-yl)ethyl]hex-5-ynamide Openeye Name: 6-[3-(aminomethyl)phenyl]-N-[2-(1H-imidazol-5-yl)ethyl]hex-5-ynamide CAS Name: 6-[3-(aminomethyl)phenyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5-hexynamide IUPAC Name: 6-[3-(aminomethyl)phenyl]-N-[2-(1H-imidazol-5-yl)ethyl]hex-5-ynamide Traditional Name: 6-[3-(aminomethyl)phenyl]-N-[2-(1H-imidazol-5-yl)ethyl]hex-5-ynamide Formula: C18H22N4O MolecularWeight: 310.39348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN)C#CCCCC(=O)NCCC2=CN=CN2

Isomeric SMILES

C1=CC(=CC(=C1)CN)C#CCCCC(=O)NCCC2=CN=CN2

InChI

InChI=1S/C18H22N4O/c19-12-16-7-4-6-15(11-16)5-2-1-3-8-18(23)21-10-9-17-13-20-14-22-17/h4,6-7,11,13-14H,1,3,8-10,12,19H2,(H,20,22)(H,21,23)