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

Systemtic Name: 1,4-diazepan-1-yl-[4-[(4-nitrophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidin-2-yl]methanone Openeye Name: 1,4-diazepan-1-yl-[4-[(4-nitrophenyl)methyl-(tetrahydrofuran-2-ylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]methanone CAS Name: 1,4-diazepan-1-yl-[4-[(4-nitrophenyl)methyl-(2-oxolanylmethyl)amino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinyl]methanone IUPAC Name: 1,4-diazepan-1-yl-[4-[(4-nitrophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]methanone Traditional Name: 1,4-diazepan-1-yl-[1-nicotinoyl-4-[(4-nitrobenzyl)-(tetrahydrofurfuryl)amino]pyrrolidin-2-yl]methanone Formula: C28H36N6O5 MolecularWeight: 536.62264

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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)N5CCCNCC5

Isomeric SMILES

C1CC(OC1)CN(CC2=CC=C(C=C2)[N+](=O)[O-])C3CC(N(C3)C(=O)C4=CN=CC=C4)C(=O)N5CCCNCC5

InChI

InChI=1S/C28H36N6O5/c35-27(22-4-1-10-30-17-22)33-19-24(16-26(33)28(36)31-13-3-11-29-12-14-31)32(20-25-5-2-15-39-25)18-21-6-8-23(9-7-21)34(37)38/h1,4,6-10,17,24-26,29H,2-3,5,11-16,18-20H2