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

Systemtic Name: (2R)-N-(2-azanylethyl)-1-ethanoyl-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]piperidine-2-carboxamide Openeye Name: (2R)-1-acetyl-N-(2-aminoethyl)-4-[isobutyl-[(4-nitrophenyl)methyl]amino]piperidine-2-carboxamide CAS Name: (2R)-1-acetyl-N-(2-aminoethyl)-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]-2-piperidinecarboxamide IUPAC Name: (2R)-1-acetyl-N-(2-aminoethyl)-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]piperidine-2-carboxamide Traditional Name: (2R)-1-acetyl-N-(2-aminoethyl)-4-[isobutyl-(4-nitrobenzyl)amino]pipecolinamide Formula: C21H33N5O4 MolecularWeight: 419.51782

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H33N5O4/c1-15(2)13-24(14-17-4-6-18(7-5-17)26(29)30)19-8-11-25(16(3)27)20(12-19)21(28)23-10-9-22/h4-7,15,19-20H,8-14,22H2,1-3H3,(H,23,28)/t19?,20-/m1/s1