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

Systemtic Name: (8R,8aR)-6-azanyl-8-(2,5-dimethoxyphenyl)-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: (8R,8aR)-6-amino-8-(2,5-dimethoxyphenyl)-2-isopropyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: (8R,8aR)-6-amino-8-(2,5-dimethoxyphenyl)-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: (8R,8aR)-6-amino-8-(2,5-dimethoxyphenyl)-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: (8R,8aR)-6-amino-8-(2,5-dimethoxyphenyl)-2-isopropyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Formula: C23H25N5O2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC(C)N1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C23H25N5O2/c1-14(2)28-8-7-16-18(10-24)22(27)23(12-25,13-26)21(19(16)11-28)17-9-15(29-3)5-6-20(17)30-4/h5-7,9,14,19,21H,8,11,27H2,1-4H3/t19-,21+/m0/s1