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

Systemtic Name: N-(2-azanylethyl)-4-[cyclohexylmethyl(thiophen-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-4-[cyclohexylmethyl(2-thienylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-4-[cyclohexylmethyl(thiophen-2-ylmethyl)amino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-4-[cyclohexylmethyl(thiophen-2-ylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-4-[cyclohexylmethyl(2-thenyl)amino]-1-nicotinoyl-pyrrolidine-2-carboxamide Formula: C25H35N5O2S MolecularWeight: 469.6427

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N5O2S/c26-10-12-28-24(31)23-14-21(17-30(23)25(32)20-8-4-11-27-15-20)29(18-22-9-5-13-33-22)16-19-6-2-1-3-7-19/h4-5,8-9,11,13,15,19,21,23H,1-3,6-7,10,12,14,16-18,26H2,(H,28,31)