(1-hex-1-ynyl-1H-isoquinolin-2-yl)-phenyl-methanone

Systemtic Name: (1-hex-1-ynyl-1H-isoquinolin-2-yl)-phenyl-methanone Openeye Name: (1-hex-1-ynyl-1H-isoquinolin-2-yl)-phenyl-methanone CAS Name: (1-hex-1-ynyl-1H-isoquinolin-2-yl)-phenylmethanone IUPAC Name: (1-hex-1-ynyl-1H-isoquinolin-2-yl)-phenylmethanone Traditional Name: (1-hex-1-ynyl-1H-isoquinolin-2-yl)-phenyl-methanone Formula: C22H21NO MolecularWeight: 315.40824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1C2=CC=CC=C2C=CN1C(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCC#CC1C2=CC=CC=C2C=CN1C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21NO/c1-2-3-4-8-15-21-20-14-10-9-11-18(20)16-17-23(21)22(24)19-12-6-5-7-13-19/h5-7,9-14,16-17,21H,2-4H2,1H3