(8R,8aR)-6-azanyl-2-phenethyl-8-thiophen-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile

Systemtic Name: (8R,8aR)-6-azanyl-2-phenethyl-8-thiophen-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: (8R,8aR)-6-amino-2-phenethyl-8-(2-thienyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: (8R,8aR)-6-amino-2-phenethyl-8-thiophen-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: (8R,8aR)-6-amino-2-phenethyl-8-thiophen-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: (8R,8aR)-6-amino-2-phenethyl-8-(2-thienyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Formula: C24H21N5S MolecularWeight: 411.52204

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C2C(CN1CCC3=CC=CC=C3)C(C(C(=C2C#N)N)(C#N)C#N)C4=CC=CS4

Isomeric SMILES

C1C=C2[C@H](CN1CCC3=CC=CC=C3)[C@H](C(C(=C2C#N)N)(C#N)C#N)C4=CC=CS4

InChI

InChI=1S/C24H21N5S/c25-13-19-18-9-11-29(10-8-17-5-2-1-3-6-17)14-20(18)22(21-7-4-12-30-21)24(15-26,16-27)23(19)28/h1-7,9,12,20,22H,8,10-11,14,28H2/t20-,22-/m0/s1