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

Systemtic Name: 1-methyl-3-(1-oxidanylbutan-2-ylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-[1-(hydroxymethyl)propylamino]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-(1-hydroxybutan-2-ylamino)-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-(1-hydroxybutan-2-ylamino)-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 1-methyl-3-(1-methylolpropylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C15H21N3O MolecularWeight: 259.34674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=NC(=C2CCCCC2=C1C#N)C

Isomeric SMILES

CCC(CO)NC1=NC(=C2CCCCC2=C1C#N)C

InChI

InChI=1S/C15H21N3O/c1-3-11(9-19)18-15-14(8-16)13-7-5-4-6-12(13)10(2)17-15/h11,19H,3-7,9H2,1-2H3,(H,17,18)