6-azanyl-2-ethanoyl-8-(3-ethoxy-4-propan-2-yloxy-phenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile

Systemtic Name: 6-azanyl-2-ethanoyl-8-(3-ethoxy-4-propan-2-yloxy-phenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: 2-acetyl-6-amino-8-(3-ethoxy-4-isopropoxy-phenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: 2-acetyl-6-amino-8-(3-ethoxy-4-propan-2-yloxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: 2-acetyl-6-amino-8-(3-ethoxy-4-propan-2-yloxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: 2-acetyl-6-amino-8-(3-ethoxy-4-isopropoxy-phenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)C)OC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)C)OC(C)C

InChI

InChI=1S/C25H27N5O3/c1-5-32-22-10-17(6-7-21(22)33-15(2)3)23-20-12-30(16(4)31)9-8-18(20)19(11-26)24(29)25(23,13-27)14-28/h6-8,10,15,20,23H,5,9,12,29H2,1-4H3