N-[(2-methoxyphenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: N-[(2-methoxyphenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-[(2-methoxyphenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide CAS Name: N-[(2-methoxyphenyl)methyl]-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide IUPAC Name: N-[(2-methoxyphenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-o-anisyl-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)isonipecotamide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)C2CCN(CC2)C3=NN=C(S3)N4C=CC=C4

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)C2CCN(CC2)C3=NN=C(S3)N4C=CC=C4

InChI

InChI=1S/C20H23N5O2S/c1-27-17-7-3-2-6-16(17)14-21-18(26)15-8-12-25(13-9-15)20-23-22-19(28-20)24-10-4-5-11-24/h2-7,10-11,15H,8-9,12-14H2,1H3,(H,21,26)