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

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[(4-cyanophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-cyclopropylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-(2-thienylmethyl)amino]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-[cyclopropyl(oxo)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanobenzyl)-(2-thenyl)amino]-1-(cyclopropanecarbonyl)pipecolinamide Formula: C25H31N5O2S MolecularWeight: 465.61094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCC(CC2C(=O)NCCN)N(CC3=CC=C(C=C3)C#N)CC4=CC=CS4

Isomeric SMILES

C1CC1C(=O)N2CCC(C[C@@H]2C(=O)NCCN)N(CC3=CC=C(C=C3)C#N)CC4=CC=CS4

InChI

InChI=1S/C25H31N5O2S/c26-10-11-28-24(31)23-14-21(9-12-30(23)25(32)20-7-8-20)29(17-22-2-1-13-33-22)16-19-5-3-18(15-27)4-6-19/h1-6,13,20-21,23H,7-12,14,16-17,26H2,(H,28,31)/t21?,23-/m1/s1