(2R)-N-(2-azanylethyl)-4-[(4-cyanophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[(4-cyanophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-(2-thienylmethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-[oxo(3-pyridinyl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanobenzyl)-(2-thenyl)amino]-1-nicotinoyl-pipecolinamide Formula: C27H30N6O2S MolecularWeight: 502.6311

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1N(CC2=CC=C(C=C2)C#N)CC3=CC=CS3)C(=O)NCCN)C(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN([C@H](CC1N(CC2=CC=C(C=C2)C#N)CC3=CC=CS3)C(=O)NCCN)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C27H30N6O2S/c28-10-12-31-26(34)25-15-23(9-13-33(25)27(35)22-3-1-11-30-17-22)32(19-24-4-2-14-36-24)18-21-7-5-20(16-29)6-8-21/h1-8,11,14,17,23,25H,9-10,12-13,15,18-19,28H2,(H,31,34)/t23?,25-/m1/s1