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

Systemtic Name: 1-(furan-2-yl)-3-(1-oxidanylbutan-2-ylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 1-(2-furyl)-3-[1-(hydroxymethyl)propylamino]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-(2-furanyl)-3-(1-hydroxybutan-2-ylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 1-(furan-2-yl)-3-(1-hydroxybutan-2-ylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 1-(2-furyl)-3-(1-methylolpropylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=NC(=C2CCCCC2=C1C#N)C3=CC=CO3

Isomeric SMILES

CCC(CO)NC1=NC(=C2CCCCC2=C1C#N)C3=CC=CO3

InChI

InChI=1S/C18H21N3O2/c1-2-12(11-22)20-18-15(10-19)13-6-3-4-7-14(13)17(21-18)16-8-5-9-23-16/h5,8-9,12,22H,2-4,6-7,11H2,1H3,(H,20,21)