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

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]-1-cyclopropylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-isobutyl-amino]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]-1-[cyclopropyl(oxo)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanobenzyl)-isobutyl-amino]-1-(cyclopropanecarbonyl)pipecolinamide Formula: C24H35N5O2 MolecularWeight: 425.567

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=C(C=C1)C#N)C2CCN(C(C2)C(=O)NCCN)C(=O)C3CC3

Isomeric SMILES

CC(C)CN(CC1=CC=C(C=C1)C#N)C2CCN([C@H](C2)C(=O)NCCN)C(=O)C3CC3

InChI

InChI=1S/C24H35N5O2/c1-17(2)15-28(16-19-5-3-18(14-26)4-6-19)21-9-12-29(24(31)20-7-8-20)22(13-21)23(30)27-11-10-25/h3-6,17,20-22H,7-13,15-16,25H2,1-2H3,(H,27,30)/t21?,22-/m1/s1