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

Systemtic Name: 1-ethyl-3-(1-oxidanylbutan-2-ylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 1-ethyl-3-[1-(hydroxymethyl)propylamino]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-ethyl-3-(1-hydroxybutan-2-ylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 1-ethyl-3-(1-hydroxybutan-2-ylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 1-ethyl-3-(1-methylolpropylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C16H23N3O MolecularWeight: 273.37332

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCC2=C(C(=N1)NC(CC)CO)C#N

Isomeric SMILES

CCC1=C2CCCCC2=C(C(=N1)NC(CC)CO)C#N

InChI

InChI=1S/C16H23N3O/c1-3-11(10-20)18-16-14(9-17)12-7-5-6-8-13(12)15(4-2)19-16/h11,20H,3-8,10H2,1-2H3,(H,18,19)