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

Systemtic Name: 2-azanyl-4-(5-bromanyl-2-propan-2-yloxy-phenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile Openeye Name: 2-amino-4-(5-bromo-2-isopropoxy-phenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile CAS Name: 2-amino-4-(5-bromo-2-propan-2-yloxyphenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile IUPAC Name: 2-amino-4-(5-bromo-2-propan-2-yloxyphenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile Traditional Name: 2-amino-4-(5-bromo-2-isopropoxy-phenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile Formula: C22H21BrN4O MolecularWeight: 437.33234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)Br)C2C3CCCC=C3C(=C(C2(C#N)C#N)N)C#N

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)Br)C2C3CCCC=C3C(=C(C2(C#N)C#N)N)C#N

InChI

InChI=1S/C22H21BrN4O/c1-13(2)28-19-8-7-14(23)9-17(19)20-16-6-4-3-5-15(16)18(10-24)21(27)22(20,11-25)12-26/h5,7-9,13,16,20H,3-4,6,27H2,1-2H3