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

Systemtic Name: (8R,8aR)-6-azanyl-8-(2,3-dimethoxyphenyl)-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: (8R,8aR)-6-amino-8-(2,3-dimethoxyphenyl)-2-isopropyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: (8R,8aR)-6-amino-8-(2,3-dimethoxyphenyl)-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: (8R,8aR)-6-amino-8-(2,3-dimethoxyphenyl)-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: (8R,8aR)-6-amino-8-(2,3-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)28-9-8-15-17(10-24)22(27)23(12-25,13-26)20(18(15)11-28)16-6-5-7-19(29-3)21(16)30-4/h5-8,14,18,20H,9,11,27H2,1-4H3/t18-,20+/m0/s1