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

Systemtic Name: (2R)-N-(2-azanylethyl)-1-cyclopropylcarbonyl-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[isobutyl-[(4-nitrophenyl)methyl]amino]piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-1-[cyclopropyl(oxo)methyl]-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[isobutyl-(4-nitrobenzyl)amino]pipecolinamide Formula: C23H35N5O4 MolecularWeight: 445.5551

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=C(C=C1)[N+](=O)[O-])C2CCN(C(C2)C(=O)NCCN)C(=O)C3CC3

Isomeric SMILES

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

InChI

InChI=1S/C23H35N5O4/c1-16(2)14-26(15-17-3-7-19(8-4-17)28(31)32)20-9-12-27(23(30)18-5-6-18)21(13-20)22(29)25-11-10-24/h3-4,7-8,16,18,20-21H,5-6,9-15,24H2,1-2H3,(H,25,29)/t20?,21-/m1/s1