N-[(2-ethoxyphenyl)methyl]-1-(3-pyrrol-1-ylthiophen-2-yl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2-ethoxyphenyl)methyl]-1-(3-pyrrol-1-ylthiophen-2-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[(2-ethoxyphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide CAS Name: N-[(2-ethoxyphenyl)methyl]-1-[oxo-[3-(1-pyrrolyl)-2-thiophenyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-[(2-ethoxyphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-(2-ethoxybenzyl)-1-(3-pyrrol-1-ylthiophene-2-carbonyl)isonipecotamide Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CNC(=O)C2CCN(CC2)C(=O)C3=C(C=CS3)N4C=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1CNC(=O)C2CCN(CC2)C(=O)C3=C(C=CS3)N4C=CC=C4

InChI

InChI=1S/C24H27N3O3S/c1-2-30-21-8-4-3-7-19(21)17-25-23(28)18-9-14-27(15-10-18)24(29)22-20(11-16-31-22)26-12-5-6-13-26/h3-8,11-13,16,18H,2,9-10,14-15,17H2,1H3,(H,25,28)