6-azanyl-8-(3-methoxy-4-propan-2-yloxy-phenyl)-2,3,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile

Systemtic Name: 6-azanyl-8-(3-methoxy-4-propan-2-yloxy-phenyl)-2,3,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile Openeye Name: 6-amino-8-(4-isopropoxy-3-methoxy-phenyl)-2,3,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile CAS Name: 6-amino-8-(3-methoxy-4-propan-2-yloxyphenyl)-2,3,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile IUPAC Name: 6-amino-8-(3-methoxy-4-propan-2-yloxyphenyl)-2,3,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile Traditional Name: 6-amino-8-(4-isopropoxy-3-methoxy-phenyl)-2,3,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C2C3CNCC=C3C(=C(C2(C#N)C#N)N)C#N)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C2C3CNCC=C3C(=C(C2(C#N)C#N)N)C#N)OC

InChI

InChI=1S/C22H23N5O2/c1-13(2)29-18-5-4-14(8-19(18)28-3)20-17-10-27-7-6-15(17)16(9-23)21(26)22(20,11-24)12-25/h4-6,8,13,17,20,27H,7,10,26H2,1-3H3