(2R)-N-(2-azanylethyl)-1-cyclopropylcarbonyl-4-[(4-methylphenyl)methyl-(oxolan-2-ylmethyl)amino]piperidine-2-carboxamide

Systemtic Name: (2R)-N-(2-azanylethyl)-1-cyclopropylcarbonyl-4-[(4-methylphenyl)methyl-(oxolan-2-ylmethyl)amino]piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[p-tolylmethyl(tetrahydrofuran-2-ylmethyl)amino]piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-1-[cyclopropyl(oxo)methyl]-4-[(4-methylphenyl)methyl-(2-oxolanylmethyl)amino]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[(4-methylphenyl)methyl-(oxolan-2-ylmethyl)amino]piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[(4-methylbenzyl)-(tetrahydrofurfuryl)amino]pipecolinamide Formula: C25H38N4O3 MolecularWeight: 442.59422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC2CCCO2)C3CCN(C(C3)C(=O)NCCN)C(=O)C4CC4

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC2CCCO2)C3CCN([C@H](C3)C(=O)NCCN)C(=O)C4CC4

InChI

InChI=1S/C25H38N4O3/c1-18-4-6-19(7-5-18)16-28(17-22-3-2-14-32-22)21-10-13-29(25(31)20-8-9-20)23(15-21)24(30)27-12-11-26/h4-7,20-23H,2-3,8-17,26H2,1H3,(H,27,30)/t21?,22?,23-/m1/s1