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

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[(4-cyanophenyl)methyl-cyclopropyl-amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-cyclopropyl-amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-cyclopropylamino]-1-[oxo(3-pyridinyl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-cyclopropylamino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanobenzyl)-cyclopropyl-amino]-1-nicotinoyl-pipecolinamide Formula: C25H30N6O2 MolecularWeight: 446.5447

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC2=CC=C(C=C2)C#N)C3CCN(C(C3)C(=O)NCCN)C(=O)C4=CN=CC=C4

Isomeric SMILES

C1CC1N(CC2=CC=C(C=C2)C#N)C3CCN([C@H](C3)C(=O)NCCN)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C25H30N6O2/c26-10-12-29-24(32)23-14-22(9-13-30(23)25(33)20-2-1-11-28-16-20)31(21-7-8-21)17-19-5-3-18(15-27)4-6-19/h1-6,11,16,21-23H,7-10,12-14,17,26H2,(H,29,32)/t22?,23-/m1/s1