N-(2-azanylethyl)-4-[oxolan-2-ylmethyl(thiophen-2-ylcarbonyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-4-[oxolan-2-ylmethyl(thiophen-2-ylcarbonyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(pyridine-3-carbonyl)-4-[tetrahydrofuran-2-ylmethyl(thiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-4-[2-oxolanylmethyl-[oxo(thiophen-2-yl)methyl]amino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-4-[oxolan-2-ylmethyl(thiophene-2-carbonyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-nicotinoyl-4-[tetrahydrofurfuryl(2-thenoyl)amino]pyrrolidine-2-carboxamide Formula: C23H29N5O4S MolecularWeight: 471.57246

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN(C2CC(N(C2)C(=O)C3=CN=CC=C3)C(=O)NCCN)C(=O)C4=CC=CS4

Isomeric SMILES

C1CC(OC1)CN(C2CC(N(C2)C(=O)C3=CN=CC=C3)C(=O)NCCN)C(=O)C4=CC=CS4

InChI

InChI=1S/C23H29N5O4S/c24-7-9-26-21(29)19-12-17(14-28(19)22(30)16-4-1-8-25-13-16)27(15-18-5-2-10-32-18)23(31)20-6-3-11-33-20/h1,3-4,6,8,11,13,17-19H,2,5,7,9-10,12,14-15,24H2,(H,26,29)