[4-[(4-nitrophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidin-2-yl]-piperazin-1-yl-methanone

Systemtic Name: [4-[(4-nitrophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidin-2-yl]-piperazin-1-yl-methanone Openeye Name: [4-[(4-nitrophenyl)methyl-(tetrahydrofuran-2-ylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-piperazin-1-yl-methanone CAS Name: [4-[(4-nitrophenyl)methyl-(2-oxolanylmethyl)amino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinyl]-(1-piperazinyl)methanone IUPAC Name: [4-[(4-nitrophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone Traditional Name: [1-nicotinoyl-4-[(4-nitrobenzyl)-(tetrahydrofurfuryl)amino]pyrrolidin-2-yl]-piperazino-methanone Formula: C27H34N6O5 MolecularWeight: 522.59606

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN(CC2=CC=C(C=C2)[N+](=O)[O-])C3CC(N(C3)C(=O)C4=CN=CC=C4)C(=O)N5CCNCC5

Isomeric SMILES

C1CC(OC1)CN(CC2=CC=C(C=C2)[N+](=O)[O-])C3CC(N(C3)C(=O)C4=CN=CC=C4)C(=O)N5CCNCC5

InChI

InChI=1S/C27H34N6O5/c34-26(21-3-1-9-29-16-21)32-18-23(15-25(32)27(35)30-12-10-28-11-13-30)31(19-24-4-2-14-38-24)17-20-5-7-22(8-6-20)33(36)37/h1,3,5-9,16,23-25,28H,2,4,10-15,17-19H2