N-(2-azanylethyl)-4-[cyclohexylmethyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-4-[cyclohexylmethyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-4-[cyclohexylmethyl(2-thienylmethyl)amino]-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-4-[cyclohexylmethyl(thiophen-2-ylmethyl)amino]-1-[(4-fluorophenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-4-[cyclohexylmethyl(thiophen-2-ylmethyl)amino]-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-4-[cyclohexylmethyl(2-thenyl)amino]-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide Formula: C26H35FN4O2S MolecularWeight: 486.645103

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN(CC2=CC=CS2)C3CC(N(C3)C(=O)C4=CC=C(C=C4)F)C(=O)NCCN

Isomeric SMILES

C1CCC(CC1)CN(CC2=CC=CS2)C3CC(N(C3)C(=O)C4=CC=C(C=C4)F)C(=O)NCCN

InChI

InChI=1S/C26H35FN4O2S/c27-21-10-8-20(9-11-21)26(33)31-17-22(15-24(31)25(32)29-13-12-28)30(18-23-7-4-14-34-23)16-19-5-2-1-3-6-19/h4,7-11,14,19,22,24H,1-3,5-6,12-13,15-18,28H2,(H,29,32)