2-(4-chloranylbutanoyl)-3-methyl-1H-isoquinoline-1-carbonitrile

Systemtic Name: 2-(4-chloranylbutanoyl)-3-methyl-1H-isoquinoline-1-carbonitrile Openeye Name: 2-(4-chlorobutanoyl)-3-methyl-1H-isoquinoline-1-carbonitrile CAS Name: 2-(4-chloro-1-oxobutyl)-3-methyl-1H-isoquinoline-1-carbonitrile IUPAC Name: 2-(4-chlorobutanoyl)-3-methyl-1H-isoquinoline-1-carbonitrile Traditional Name: 2-(4-chlorobutanoyl)-3-methyl-1H-isoquinoline-1-carbonitrile Formula: C15H15ClN2O MolecularWeight: 274.7454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C(N1C(=O)CCCCl)C#N

Isomeric SMILES

CC1=CC2=CC=CC=C2C(N1C(=O)CCCCl)C#N

InChI

InChI=1S/C15H15ClN2O/c1-11-9-12-5-2-3-6-13(12)14(10-17)18(11)15(19)7-4-8-16/h2-3,5-6,9,14H,4,7-8H2,1H3