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

Systemtic Name: N-(2-azanylethyl)-4-[2-methylpropanoyl(thiophen-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-4-[2-methylpropanoyl(2-thienylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-4-[(2-methyl-1-oxopropyl)-(thiophen-2-ylmethyl)amino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-4-[2-methylpropanoyl(thiophen-2-ylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-4-[isobutyryl(2-thenyl)amino]-1-nicotinoyl-pyrrolidine-2-carboxamide Formula: C22H29N5O3S MolecularWeight: 443.56236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N(CC1=CC=CS1)C2CC(N(C2)C(=O)C3=CN=CC=C3)C(=O)NCCN

Isomeric SMILES

CC(C)C(=O)N(CC1=CC=CS1)C2CC(N(C2)C(=O)C3=CN=CC=C3)C(=O)NCCN

InChI

InChI=1S/C22H29N5O3S/c1-15(2)21(29)26(14-18-6-4-10-31-18)17-11-19(20(28)25-9-7-23)27(13-17)22(30)16-5-3-8-24-12-16/h3-6,8,10,12,15,17,19H,7,9,11,13-14,23H2,1-2H3,(H,25,28)