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

Systemtic Name: (2R)-N-(2-azanylethyl)-1-cyclopropylcarbonyl-4-[(4-nitrophenyl)methyl-(oxolan-2-ylmethyl)amino]piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[(4-nitrophenyl)methyl-(tetrahydrofuran-2-ylmethyl)amino]piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-1-[cyclopropyl(oxo)methyl]-4-[(4-nitrophenyl)methyl-(2-oxolanylmethyl)amino]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[(4-nitrophenyl)methyl-(oxolan-2-ylmethyl)amino]piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[(4-nitrobenzyl)-(tetrahydrofurfuryl)amino]pipecolinamide Formula: C24H35N5O5 MolecularWeight: 473.5652

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN(CC2=CC=C(C=C2)[N+](=O)[O-])C3CCN(C(C3)C(=O)NCCN)C(=O)C4CC4

Isomeric SMILES

C1CC(OC1)CN(CC2=CC=C(C=C2)[N+](=O)[O-])C3CCN([C@H](C3)C(=O)NCCN)C(=O)C4CC4

InChI

InChI=1S/C24H35N5O5/c25-10-11-26-23(30)22-14-20(9-12-28(22)24(31)18-5-6-18)27(16-21-2-1-13-34-21)15-17-3-7-19(8-4-17)29(32)33/h3-4,7-8,18,20-22H,1-2,5-6,9-16,25H2,(H,26,30)/t20?,21?,22-/m1/s1