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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CC=C2C(C1)C(C(C(=C2N)C#N)(C#N)C#N)C3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CC(C)N1CC=C2C(C1)C(C(C(=C2N)C#N)(C#N)C#N)C3=C(C(=CC=C3)OC)OC

InChI

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