(2R)-N-(4-azanylcyclohexyl)-4-[(4-cyanophenyl)methyl-(2-methoxyethyl)amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[(4-cyanophenyl)methyl-(2-methoxyethyl)amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-(2-methoxyethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-(2-methoxyethyl)amino]-1-[oxo(thiophen-2-yl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-(2-methoxyethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanobenzyl)-(2-methoxyethyl)amino]-1-(2-thenoyl)pipecolinamide Formula: C28H37N5O3S MolecularWeight: 523.69008

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC=C(C=C1)C#N)C2CCN(C(C2)C(=O)NC3CCC(CC3)N)C(=O)C4=CC=CS4

Isomeric SMILES

COCCN(CC1=CC=C(C=C1)C#N)C2CCN([C@H](C2)C(=O)NC3CCC(CC3)N)C(=O)C4=CC=CS4

InChI

InChI=1S/C28H37N5O3S/c1-36-15-14-32(19-21-6-4-20(18-29)5-7-21)24-12-13-33(28(35)26-3-2-16-37-26)25(17-24)27(34)31-23-10-8-22(30)9-11-23/h2-7,16,22-25H,8-15,17,19,30H2,1H3,(H,31,34)/t22?,23?,24?,25-/m1/s1