(2R)-N-(2-azanylethyl)-4-[(4-cyanophenyl)methyl-cyclopropyl-amino]-1-(4-methylphenyl)carbonyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[(4-cyanophenyl)methyl-cyclopropyl-amino]-1-(4-methylphenyl)carbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-cyclopropyl-amino]-1-(4-methylbenzoyl)piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-cyclopropylamino]-1-[(4-methylphenyl)-oxomethyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-cyclopropylamino]-1-(4-methylbenzoyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanobenzyl)-cyclopropyl-amino]-1-p-toluoyl-pipecolinamide Formula: C27H33N5O2 MolecularWeight: 459.58322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCC(CC2C(=O)NCCN)N(CC3=CC=C(C=C3)C#N)C4CC4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCC(C[C@@H]2C(=O)NCCN)N(CC3=CC=C(C=C3)C#N)C4CC4

InChI

InChI=1S/C27H33N5O2/c1-19-2-8-22(9-3-19)27(34)31-15-12-24(16-25(31)26(33)30-14-13-28)32(23-10-11-23)18-21-6-4-20(17-29)5-7-21/h2-9,23-25H,10-16,18,28H2,1H3,(H,30,33)/t24?,25-/m1/s1