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

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[(4-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-4-[(4-methoxyphenyl)methyl-(2-thienylmethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-4-[(4-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-1-[oxo(3-pyridinyl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-4-[(4-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-1-nicotinoyl-4-[p-anisyl(2-thenyl)amino]pipecolinamide Formula: C27H33N5O3S MolecularWeight: 507.64762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC2=CC=CS2)C3CCN(C(C3)C(=O)NCCN)C(=O)C4=CN=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC2=CC=CS2)C3CCN([C@H](C3)C(=O)NCCN)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C27H33N5O3S/c1-35-23-8-6-20(7-9-23)18-31(19-24-5-3-15-36-24)22-10-14-32(25(16-22)26(33)30-13-11-28)27(34)21-4-2-12-29-17-21/h2-9,12,15,17,22,25H,10-11,13-14,16,18-19,28H2,1H3,(H,30,33)/t22?,25-/m1/s1