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

Systemtic Name: 2-azanyl-4-(3-phenylmethoxyphenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile Openeye Name: 2-amino-4-(3-benzyloxyphenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile CAS Name: 2-amino-4-(3-phenylmethoxyphenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile IUPAC Name: 2-amino-4-(3-phenylmethoxyphenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile Traditional Name: 2-amino-4-(3-benzoxyphenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile Formula: C26H22N4O MolecularWeight: 406.47908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H22N4O/c27-14-23-21-11-4-5-12-22(21)24(26(16-28,17-29)25(23)30)19-9-6-10-20(13-19)31-15-18-7-2-1-3-8-18/h1-3,6-11,13,22,24H,4-5,12,15,30H2