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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[(4-cyanophenyl)methyl-cyclopropyl-amino]-1-cyclopropylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-cyclopropyl-amino]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-cyclopropylamino]-1-[cyclopropyl(oxo)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-cyclopropylamino]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanobenzyl)-cyclopropyl-amino]-1-(cyclopropanecarbonyl)pipecolinamide Formula: C27H37N5O2 MolecularWeight: 463.61498

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCC(CC2C(=O)NC3CCC(CC3)N)N(CC4=CC=C(C=C4)C#N)C5CC5

Isomeric SMILES

C1CC1C(=O)N2CCC(C[C@@H]2C(=O)NC3CCC(CC3)N)N(CC4=CC=C(C=C4)C#N)C5CC5

InChI

InChI=1S/C27H37N5O2/c28-16-18-1-3-19(4-2-18)17-32(23-11-12-23)24-13-14-31(27(34)20-5-6-20)25(15-24)26(33)30-22-9-7-21(29)8-10-22/h1-4,20-25H,5-15,17,29H2,(H,30,33)/t21?,22?,24?,25-/m1/s1