N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]-2-pyrrolecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide Traditional Name: N-homoveratryl-1-(5-pyrrolidino-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC=CN2C3=NN=C(S3)N4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC=CN2C3=NN=C(S3)N4CCCC4)OC

InChI

InChI=1S/C21H25N5O3S/c1-28-17-8-7-15(14-18(17)29-2)9-10-22-19(27)16-6-5-13-26(16)21-24-23-20(30-21)25-11-3-4-12-25/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,22,27)