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

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[(4-methylphenyl)methyl-(oxolan-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-4-[p-tolylmethyl(tetrahydrofuran-2-ylmethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-4-[(4-methylphenyl)methyl-(2-oxolanylmethyl)amino]-1-[oxo(3-pyridinyl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-4-[(4-methylphenyl)methyl-(oxolan-2-ylmethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-4-[(4-methylbenzyl)-(tetrahydrofurfuryl)amino]-1-nicotinoyl-pipecolinamide Formula: C27H37N5O3 MolecularWeight: 479.61438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC2CCCO2)C3CCN(C(C3)C(=O)NCCN)C(=O)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC2CCCO2)C3CCN([C@H](C3)C(=O)NCCN)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C27H37N5O3/c1-20-6-8-21(9-7-20)18-31(19-24-5-3-15-35-24)23-10-14-32(25(16-23)26(33)30-13-11-28)27(34)22-4-2-12-29-17-22/h2,4,6-9,12,17,23-25H,3,5,10-11,13-16,18-19,28H2,1H3,(H,30,33)/t23?,24?,25-/m1/s1