4-[(4-chloranyl-3-phenylmethoxy-phenyl)amino]-5-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile

Systemtic Name: 4-[(4-chloranyl-3-phenylmethoxy-phenyl)amino]-5-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile Openeye Name: 4-(3-benzyloxy-4-chloro-anilino)-5-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile CAS Name: 4-(4-chloro-3-phenylmethoxyanilino)-5-(3,4-dimethoxyphenyl)-3-pyridinecarbonitrile IUPAC Name: 4-(4-chloro-3-phenylmethoxyanilino)-5-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile Traditional Name: 4-(3-benzoxy-4-chloro-anilino)-5-(3,4-dimethoxyphenyl)nicotinonitrile Formula: C27H22ClN3O3 MolecularWeight: 471.93488

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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(=C(C=C3)Cl)OCC4=CC=CC=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H22ClN3O3/c1-32-24-11-8-19(12-26(24)33-2)22-16-30-15-20(14-29)27(22)31-21-9-10-23(28)25(13-21)34-17-18-6-4-3-5-7-18/h3-13,15-16H,17H2,1-2H3,(H,30,31)