2-azanyl-4-(5-bromanyl-2,4-dimethoxy-phenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile

Systemtic Name: 2-azanyl-4-(5-bromanyl-2,4-dimethoxy-phenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile Openeye Name: 2-amino-4-(5-bromo-2,4-dimethoxy-phenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile CAS Name: 2-amino-4-(5-bromo-2,4-dimethoxyphenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile IUPAC Name: 2-amino-4-(5-bromo-2,4-dimethoxyphenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile Traditional Name: 2-amino-4-(5-bromo-2,4-dimethoxy-phenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile Formula: C21H19BrN4O2 MolecularWeight: 439.30516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2C3CCCC=C3C(=C(C2(C#N)C#N)N)C#N)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1C2C3CCCC=C3C(=C(C2(C#N)C#N)N)C#N)Br)OC

InChI

InChI=1S/C21H19BrN4O2/c1-27-17-8-18(28-2)16(22)7-14(17)19-13-6-4-3-5-12(13)15(9-23)20(26)21(19,10-24)11-25/h5,7-8,13,19H,3-4,6,26H2,1-2H3