3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(homoveratrylamino)-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=C(C(=N1)NCCC3=CC(=C(C=C3)OC)OC)C#N

Isomeric SMILES

CC1=C2CCCCC2=C(C(=N1)NCCC3=CC(=C(C=C3)OC)OC)C#N

InChI

InChI=1S/C21H25N3O2/c1-14-16-6-4-5-7-17(16)18(13-22)21(24-14)23-11-10-15-8-9-19(25-2)20(12-15)26-3/h8-9,12H,4-7,10-11H2,1-3H3,(H,23,24)