3-(1-cyanoethyl)-1-methyl-isoquinoline-5-carboxamide

Systemtic Name: 3-(1-cyanoethyl)-1-methyl-isoquinoline-5-carboxamide Openeye Name: 3-(1-cyanoethyl)-1-methyl-isoquinoline-5-carboxamide CAS Name: 3-(1-cyanoethyl)-1-methyl-5-isoquinolinecarboxamide IUPAC Name: 3-(1-cyanoethyl)-1-methylisoquinoline-5-carboxamide Traditional Name: 3-(1-cyanoethyl)-1-methyl-isoquinoline-5-carboxamide Formula: C14H13N3O MolecularWeight: 239.27252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC=C(C2=CC(=N1)C(C)C#N)C(=O)N

Isomeric SMILES

CC1=C2C=CC=C(C2=CC(=N1)C(C)C#N)C(=O)N

InChI

InChI=1S/C14H13N3O/c1-8(7-15)13-6-12-10(9(2)17-13)4-3-5-11(12)14(16)18/h3-6,8H,1-2H3,(H2,16,18)