1-[4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]-2-piperazin-1-ylcarbonyl-pyrrolidin-1-yl]ethanone

Systemtic Name: 1-[4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]-2-piperazin-1-ylcarbonyl-pyrrolidin-1-yl]ethanone Openeye Name: 1-[4-[isobutyl-[(4-nitrophenyl)methyl]amino]-2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone CAS Name: 1-[4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]-2-[oxo(1-piperazinyl)methyl]-1-pyrrolidinyl]ethanone IUPAC Name: 1-[4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]-2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone Traditional Name: 1-[4-[isobutyl-(4-nitrobenzyl)amino]-2-(piperazine-1-carbonyl)pyrrolidino]ethanone Formula: C22H33N5O4 MolecularWeight: 431.52852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=C(C=C1)[N+](=O)[O-])C2CC(N(C2)C(=O)C)C(=O)N3CCNCC3

Isomeric SMILES

CC(C)CN(CC1=CC=C(C=C1)[N+](=O)[O-])C2CC(N(C2)C(=O)C)C(=O)N3CCNCC3

InChI

InChI=1S/C22H33N5O4/c1-16(2)13-25(14-18-4-6-19(7-5-18)27(30)31)20-12-21(26(15-20)17(3)28)22(29)24-10-8-23-9-11-24/h4-7,16,20-21,23H,8-15H2,1-3H3