N-(2-cyanoethyl)-2,5-bis(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide

Systemtic Name: N-(2-cyanoethyl)-2,5-bis(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide Openeye Name: N-(2-cyanoethyl)-2,5-bis(4-methoxyphenyl)-N-(3-pyridylmethyl)pyrazole-3-carboxamide CAS Name: N-(2-cyanoethyl)-2,5-bis(4-methoxyphenyl)-N-(3-pyridinylmethyl)-3-pyrazolecarboxamide IUPAC Name: N-(2-cyanoethyl)-2,5-bis(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide Traditional Name: N-(2-cyanoethyl)-2,5-bis(4-methoxyphenyl)-N-(3-pyridylmethyl)pyrazole-3-carboxamide Formula: C27H25N5O3 MolecularWeight: 467.5191

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=C2)C(=O)N(CCC#N)CC3=CN=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=C2)C(=O)N(CCC#N)CC3=CN=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H25N5O3/c1-34-23-10-6-21(7-11-23)25-17-26(32(30-25)22-8-12-24(35-2)13-9-22)27(33)31(16-4-14-28)19-20-5-3-15-29-18-20/h3,5-13,15,17-18H,4,16,19H2,1-2H3