4-azanyl-5-(1-benzofuran-2-ylcarbonyl)-2,6-bis(4-methoxyphenyl)benzene-1,3-dicarbonitrile

Systemtic Name: 4-azanyl-5-(1-benzofuran-2-ylcarbonyl)-2,6-bis(4-methoxyphenyl)benzene-1,3-dicarbonitrile Openeye Name: 4-amino-5-(benzofuran-2-carbonyl)-2,6-bis(4-methoxyphenyl)benzene-1,3-dicarbonitrile CAS Name: 4-amino-5-[2-benzofuranyl(oxo)methyl]-2,6-bis(4-methoxyphenyl)benzene-1,3-dicarbonitrile IUPAC Name: 4-amino-5-(1-benzofuran-2-carbonyl)-2,6-bis(4-methoxyphenyl)benzene-1,3-dicarbonitrile Traditional Name: 4-amino-5-(benzofuran-2-carbonyl)-2,6-bis(4-methoxyphenyl)isophthalonitrile Formula: C31H21N3O4 MolecularWeight: 499.51614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=C(C(=C2C#N)N)C(=O)C3=CC4=CC=CC=C4O3)C5=CC=C(C=C5)OC)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=C(C(=C2C#N)N)C(=O)C3=CC4=CC=CC=C4O3)C5=CC=C(C=C5)OC)C#N

InChI

InChI=1S/C31H21N3O4/c1-36-21-11-7-18(8-12-21)27-23(16-32)28(19-9-13-22(37-2)14-10-19)29(30(34)24(27)17-33)31(35)26-15-20-5-3-4-6-25(20)38-26/h3-15H,34H2,1-2H3