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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[(4-cyanophenyl)methyl-phenethyl-amino]-1-cyclopropylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-phenethyl-amino]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-phenethylamino]-1-[cyclopropyl(oxo)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-phenethylamino]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanobenzyl)-phenethyl-amino]-1-(cyclopropanecarbonyl)pipecolinamide Formula: C32H41N5O2 MolecularWeight: 527.70024

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCC(CC2C(=O)NC3CCC(CC3)N)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)C#N

Isomeric SMILES

C1CC1C(=O)N2CCC(C[C@@H]2C(=O)NC3CCC(CC3)N)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C32H41N5O2/c33-21-24-6-8-25(9-7-24)22-36(18-16-23-4-2-1-3-5-23)29-17-19-37(32(39)26-10-11-26)30(20-29)31(38)35-28-14-12-27(34)13-15-28/h1-9,26-30H,10-20,22,34H2,(H,35,38)/t27?,28?,29?,30-/m1/s1