(2R)-N-(2-azanylethyl)-4-[bis(2-methylpropyl)amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[bis(2-methylpropyl)amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-4-(diisobutylamino)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-4-[bis(2-methylpropyl)amino]-1-[oxo(3-pyridinyl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-4-[bis(2-methylpropyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-4-(diisobutylamino)-1-nicotinoyl-pipecolinamide Formula: C22H37N5O2 MolecularWeight: 403.56148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C1CCN(C(C1)C(=O)NCCN)C(=O)C2=CN=CC=C2

Isomeric SMILES

CC(C)CN(CC(C)C)C1CCN([C@H](C1)C(=O)NCCN)C(=O)C2=CN=CC=C2

InChI

InChI=1S/C22H37N5O2/c1-16(2)14-26(15-17(3)4)19-7-11-27(20(12-19)21(28)25-10-8-23)22(29)18-6-5-9-24-13-18/h5-6,9,13,16-17,19-20H,7-8,10-12,14-15,23H2,1-4H3,(H,25,28)/t19?,20-/m1/s1