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

Systemtic Name: 1,4-diazepan-1-yl-[4-[(3-methoxyphenyl)methyl-[(4-nitrophenyl)methyl]amino]-1-pyridin-3-ylcarbonyl-pyrrolidin-2-yl]methanone Openeye Name: 1,4-diazepan-1-yl-[4-[(3-methoxyphenyl)methyl-[(4-nitrophenyl)methyl]amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]methanone CAS Name: 1,4-diazepan-1-yl-[4-[(3-methoxyphenyl)methyl-[(4-nitrophenyl)methyl]amino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinyl]methanone IUPAC Name: 1,4-diazepan-1-yl-[4-[(3-methoxyphenyl)methyl-[(4-nitrophenyl)methyl]amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]methanone Traditional Name: 1,4-diazepan-1-yl-[4-[m-anisyl-(4-nitrobenzyl)amino]-1-nicotinoyl-pyrrolidin-2-yl]methanone Formula: C31H36N6O5 MolecularWeight: 572.65474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN(CC2=CC=C(C=C2)[N+](=O)[O-])C3CC(N(C3)C(=O)C4=CN=CC=C4)C(=O)N5CCCNCC5

Isomeric SMILES

COC1=CC=CC(=C1)CN(CC2=CC=C(C=C2)[N+](=O)[O-])C3CC(N(C3)C(=O)C4=CN=CC=C4)C(=O)N5CCCNCC5

InChI

InChI=1S/C31H36N6O5/c1-42-28-7-2-5-24(17-28)21-35(20-23-8-10-26(11-9-23)37(40)41)27-18-29(31(39)34-15-4-13-32-14-16-34)36(22-27)30(38)25-6-3-12-33-19-25/h2-3,5-12,17,19,27,29,32H,4,13-16,18,20-22H2,1H3