N-(2-azanylethyl)-4-[(4-fluorophenyl)methyl-(2-methylpropyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-4-[(4-fluorophenyl)methyl-(2-methylpropyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-4-[(4-fluorophenyl)methyl-isobutyl-amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-4-[(4-fluorophenyl)methyl-(2-methylpropyl)amino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-4-[(4-fluorophenyl)methyl-(2-methylpropyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-4-[(4-fluorobenzyl)-isobutyl-amino]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C23H31FN4O2S MolecularWeight: 446.581243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=C(C=C1)F)C2CC(N(C2)C(=O)C3=CC=CS3)C(=O)NCCN

Isomeric SMILES

CC(C)CN(CC1=CC=C(C=C1)F)C2CC(N(C2)C(=O)C3=CC=CS3)C(=O)NCCN

InChI

InChI=1S/C23H31FN4O2S/c1-16(2)13-27(14-17-5-7-18(24)8-6-17)19-12-20(22(29)26-10-9-25)28(15-19)23(30)21-4-3-11-31-21/h3-8,11,16,19-20H,9-10,12-15,25H2,1-2H3,(H,26,29)