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

Systemtic Name: 6-azanyl-8-(2-bromanyl-4,5-diethoxy-phenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: 6-amino-8-(2-bromo-4,5-diethoxy-phenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: 6-amino-8-(2-bromo-4,5-diethoxyphenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: 6-amino-8-(2-bromo-4,5-diethoxyphenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: 6-amino-8-(2-bromo-4,5-diethoxy-phenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Formula: C23H24BrN5O2 MolecularWeight: 482.37296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C)Br)OCC

InChI

InChI=1S/C23H24BrN5O2/c1-4-30-19-8-15(18(24)9-20(19)31-5-2)21-17-11-29(3)7-6-14(17)16(10-25)22(28)23(21,12-26)13-27/h6,8-9,17,21H,4-5,7,11,28H2,1-3H3