5-[2-(cyanomethyl)-1,3-thiazol-4-yl]-2-methyl-1-(3-phenylpropyl)pyrrole-3-carboxamide

Systemtic Name: 5-[2-(cyanomethyl)-1,3-thiazol-4-yl]-2-methyl-1-(3-phenylpropyl)pyrrole-3-carboxamide Openeye Name: 5-[2-(cyanomethyl)thiazol-4-yl]-2-methyl-1-(3-phenylpropyl)pyrrole-3-carboxamide CAS Name: 5-[2-(cyanomethyl)-4-thiazolyl]-2-methyl-1-(3-phenylpropyl)-3-pyrrolecarboxamide IUPAC Name: 5-[2-(cyanomethyl)-1,3-thiazol-4-yl]-2-methyl-1-(3-phenylpropyl)pyrrole-3-carboxamide Traditional Name: 5-[2-(cyanomethyl)thiazol-4-yl]-2-methyl-1-(3-phenylpropyl)pyrrole-3-carboxamide Formula: C20H20N4OS MolecularWeight: 364.464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CCCC2=CC=CC=C2)C3=CSC(=N3)CC#N)C(=O)N

Isomeric SMILES

CC1=C(C=C(N1CCCC2=CC=CC=C2)C3=CSC(=N3)CC#N)C(=O)N

InChI

InChI=1S/C20H20N4OS/c1-14-16(20(22)25)12-18(17-13-26-19(23-17)9-10-21)24(14)11-5-8-15-6-3-2-4-7-15/h2-4,6-7,12-13H,5,8-9,11H2,1H3,(H2,22,25)