6-azanyl-5-(3-ethoxy-4-propoxy-phenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-7,7,8-tricarbonitrile

Systemtic Name: 6-azanyl-5-(3-ethoxy-4-propoxy-phenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-7,7,8-tricarbonitrile Openeye Name: 6-amino-5-(3-ethoxy-4-propoxy-phenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-7,7,8-tricarbonitrile CAS Name: 6-amino-5-(3-ethoxy-4-propoxyphenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-7,7,8-tricarbonitrile IUPAC Name: 6-amino-5-(3-ethoxy-4-propoxyphenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-7,7,8-tricarbonitrile Traditional Name: 6-amino-5-(3-ethoxy-4-propoxy-phenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-7,7,8-tricarbonitrile Formula: C24H27N5O2 MolecularWeight: 417.50348

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2=C(C(C(C3C2=CCN(C3)C)C#N)(C#N)C#N)N)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2=C(C(C(C3C2=CCN(C3)C)C#N)(C#N)C#N)N)OCC

InChI

InChI=1S/C24H27N5O2/c1-4-10-31-20-7-6-16(11-21(20)30-5-2)22-17-8-9-29(3)13-18(17)19(12-25)24(14-26,15-27)23(22)28/h6-8,11,18-19H,4-5,9-10,13,28H2,1-3H3