(1S)-2-hex-4-ynoyl-1H-isoquinoline-1-carbonitrile

Systemtic Name: (1S)-2-hex-4-ynoyl-1H-isoquinoline-1-carbonitrile Openeye Name: (1S)-2-hex-4-ynoyl-1H-isoquinoline-1-carbonitrile CAS Name: (1S)-2-(1-oxohex-4-ynyl)-1H-isoquinoline-1-carbonitrile IUPAC Name: (1S)-2-hex-4-ynoyl-1H-isoquinoline-1-carbonitrile Traditional Name: (1S)-2-hex-4-ynoyl-1H-isoquinoline-1-carbonitrile Formula: C16H14N2O MolecularWeight: 250.29516

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCCC(=O)N1C=CC2=CC=CC=C2C1C#N

Isomeric SMILES

CC#CCCC(=O)N1C=CC2=CC=CC=C2[C@H]1C#N

InChI

InChI=1S/C16H14N2O/c1-2-3-4-9-16(19)18-11-10-13-7-5-6-8-14(13)15(18)12-17/h5-8,10-11,15H,4,9H2,1H3/t15-/m1/s1