2-(4-chloranylbutanoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile

Systemtic Name: 2-(4-chloranylbutanoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile Openeye Name: 2-(4-chlorobutanoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile CAS Name: 2-(4-chloro-1-oxobutyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile IUPAC Name: 2-(4-chlorobutanoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile Traditional Name: 2-(4-chlorobutanoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile Formula: C16H19ClN2O3 MolecularWeight: 322.78666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CCCCl)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)CCCCl)C#N)OC

InChI

InChI=1S/C16H19ClN2O3/c1-21-14-8-11-5-7-19(16(20)4-3-6-17)13(10-18)12(11)9-15(14)22-2/h8-9,13H,3-7H2,1-2H3