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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[(4-cyanophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-cyclopropylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-(tetrahydrofuran-2-ylmethyl)amino]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-(2-oxolanylmethyl)amino]-1-[cyclopropyl(oxo)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanobenzyl)-(tetrahydrofurfuryl)amino]-1-(cyclopropanecarbonyl)pipecolinamide Formula: C29H41N5O3 MolecularWeight: 507.66754

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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)NC4CCC(CC4)N)C(=O)C5CC5

Isomeric SMILES

C1CC(OC1)CN(CC2=CC=C(C=C2)C#N)C3CCN([C@H](C3)C(=O)NC4CCC(CC4)N)C(=O)C5CC5

InChI

InChI=1S/C29H41N5O3/c30-17-20-3-5-21(6-4-20)18-33(19-26-2-1-15-37-26)25-13-14-34(29(36)22-7-8-22)27(16-25)28(35)32-24-11-9-23(31)10-12-24/h3-6,22-27H,1-2,7-16,18-19,31H2,(H,32,35)/t23?,24?,25?,26?,27-/m1/s1