1-methyl-3-(2-oxidanylpropylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 1-methyl-3-(2-oxidanylpropylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-(2-hydroxypropylamino)-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-(2-hydroxypropylamino)-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-(2-hydroxypropylamino)-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(2-hydroxypropylamino)-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C14H19N3O MolecularWeight: 245.32016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=C(C(=N1)NCC(C)O)C#N

Isomeric SMILES

CC1=C2CCCCC2=C(C(=N1)NCC(C)O)C#N

InChI

InChI=1S/C14H19N3O/c1-9(18)8-16-14-13(7-15)12-6-4-3-5-11(12)10(2)17-14/h9,18H,3-6,8H2,1-2H3,(H,16,17)