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

Systemtic Name: 1,4-diazepan-1-yl-[4-[(4-nitrophenyl)methyl-phenethyl-amino]-1-pyridin-3-ylcarbonyl-pyrrolidin-2-yl]methanone Openeye Name: 1,4-diazepan-1-yl-[4-[(4-nitrophenyl)methyl-phenethyl-amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]methanone CAS Name: 1,4-diazepan-1-yl-[4-[(4-nitrophenyl)methyl-phenethylamino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinyl]methanone IUPAC Name: 1,4-diazepan-1-yl-[4-[(4-nitrophenyl)methyl-phenethylamino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]methanone Traditional Name: 1,4-diazepan-1-yl-[1-nicotinoyl-4-[(4-nitrobenzyl)-phenethyl-amino]pyrrolidin-2-yl]methanone Formula: C31H36N6O4 MolecularWeight: 556.65534

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2CC(CN2C(=O)C3=CN=CC=C3)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CNCCN(C1)C(=O)C2CC(CN2C(=O)C3=CN=CC=C3)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H36N6O4/c38-30(26-8-4-14-33-21-26)36-23-28(20-29(36)31(39)34-17-5-15-32-16-19-34)35(18-13-24-6-2-1-3-7-24)22-25-9-11-27(12-10-25)37(40)41/h1-4,6-12,14,21,28-29,32H,5,13,15-20,22-23H2