5-(3,4-dimethoxyphenyl)-4-[(3-phenylmethoxyphenyl)amino]pyridine-3-carbonitrile

Systemtic Name: 5-(3,4-dimethoxyphenyl)-4-[(3-phenylmethoxyphenyl)amino]pyridine-3-carbonitrile Openeye Name: 4-(3-benzyloxyanilino)-5-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile CAS Name: 5-(3,4-dimethoxyphenyl)-4-(3-phenylmethoxyanilino)-3-pyridinecarbonitrile IUPAC Name: 5-(3,4-dimethoxyphenyl)-4-(3-phenylmethoxyanilino)pyridine-3-carbonitrile Traditional Name: 4-(3-benzoxyanilino)-5-(3,4-dimethoxyphenyl)nicotinonitrile Formula: C27H23N3O3 MolecularWeight: 437.48982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=CN=C2)C#N)NC3=CC(=CC=C3)OCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=CN=C2)C#N)NC3=CC(=CC=C3)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C27H23N3O3/c1-31-25-12-11-20(13-26(25)32-2)24-17-29-16-21(15-28)27(24)30-22-9-6-10-23(14-22)33-18-19-7-4-3-5-8-19/h3-14,16-17H,18H2,1-2H3,(H,29,30)