(2R)-N-(2-azanylethyl)-4-[(4-cyanophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[(4-cyanophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-(tetrahydrofuran-2-ylmethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-(2-oxolanylmethyl)amino]-1-[oxo(thiophen-2-yl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanobenzyl)-(tetrahydrofurfuryl)amino]-1-(2-thenoyl)pipecolinamide Formula: C26H33N5O3S MolecularWeight: 495.63692

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN(CC2=CC=C(C=C2)C#N)C3CCN(C(C3)C(=O)NCCN)C(=O)C4=CC=CS4

Isomeric SMILES

C1CC(OC1)CN(CC2=CC=C(C=C2)C#N)C3CCN([C@H](C3)C(=O)NCCN)C(=O)C4=CC=CS4

InChI

InChI=1S/C26H33N5O3S/c27-10-11-29-25(32)23-15-21(9-12-31(23)26(33)24-4-2-14-35-24)30(18-22-3-1-13-34-22)17-20-7-5-19(16-28)6-8-20/h2,4-8,14,21-23H,1,3,9-13,15,17-18,27H2,(H,29,32)/t21?,22?,23-/m1/s1