(1R)-2-(4-chloranylbutanoyl)-1H-isoquinoline-1-carbonitrile

Systemtic Name: (1R)-2-(4-chloranylbutanoyl)-1H-isoquinoline-1-carbonitrile Openeye Name: (1R)-2-(4-chlorobutanoyl)-1H-isoquinoline-1-carbonitrile CAS Name: (1R)-2-(4-chloro-1-oxobutyl)-1H-isoquinoline-1-carbonitrile IUPAC Name: (1R)-2-(4-chlorobutanoyl)-1H-isoquinoline-1-carbonitrile Traditional Name: (1R)-2-(4-chlorobutanoyl)-1H-isoquinoline-1-carbonitrile Formula: C14H13ClN2O MolecularWeight: 260.71882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(N(C=CC2=C1)C(=O)CCCCl)C#N

Isomeric SMILES

C1=CC=C2[C@@H](N(C=CC2=C1)C(=O)CCCCl)C#N

InChI

InChI=1S/C14H13ClN2O/c15-8-3-6-14(18)17-9-7-11-4-1-2-5-12(11)13(17)10-16/h1-2,4-5,7,9,13H,3,6,8H2/t13-/m0/s1