(2R)-N-(2-azanylethyl)-4-[(4-cyanophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-cyclopropylcarbonyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[(4-cyanophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-cyclopropylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-(tetrahydrofuran-2-ylmethyl)amino]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-(2-oxolanylmethyl)amino]-1-[cyclopropyl(oxo)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanobenzyl)-(tetrahydrofurfuryl)amino]-1-(cyclopropanecarbonyl)pipecolinamide Formula: C25H35N5O3 MolecularWeight: 453.5771

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN(CC2=CC=C(C=C2)C#N)C3CCN(C(C3)C(=O)NCCN)C(=O)C4CC4

Isomeric SMILES

C1CC(OC1)CN(CC2=CC=C(C=C2)C#N)C3CCN([C@H](C3)C(=O)NCCN)C(=O)C4CC4

InChI

InChI=1S/C25H35N5O3/c26-10-11-28-24(31)23-14-21(9-12-30(23)25(32)20-7-8-20)29(17-22-2-1-13-33-22)16-19-5-3-18(15-27)4-6-19/h3-6,20-23H,1-2,7-14,16-17,26H2,(H,28,31)/t21?,22?,23-/m1/s1