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

Systemtic Name: 1,4-diazepan-1-yl-[4-[(4-fluorophenyl)methyl-phenethyl-amino]-1-pyridin-3-ylcarbonyl-pyrrolidin-2-yl]methanone Openeye Name: 1,4-diazepan-1-yl-[4-[(4-fluorophenyl)methyl-phenethyl-amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]methanone CAS Name: 1,4-diazepan-1-yl-[4-[(4-fluorophenyl)methyl-phenethylamino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinyl]methanone IUPAC Name: 1,4-diazepan-1-yl-[4-[(4-fluorophenyl)methyl-phenethylamino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]methanone Traditional Name: 1,4-diazepan-1-yl-[4-[(4-fluorobenzyl)-phenethyl-amino]-1-nicotinoyl-pyrrolidin-2-yl]methanone Formula: C31H36FN5O2 MolecularWeight: 529.648243

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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)F

Isomeric SMILES

C1CNCCN(C1)C(=O)C2CC(CN2C(=O)C3=CN=CC=C3)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)F

InChI

InChI=1S/C31H36FN5O2/c32-27-11-9-25(10-12-27)22-36(18-13-24-6-2-1-3-7-24)28-20-29(31(39)35-17-5-15-33-16-19-35)37(23-28)30(38)26-8-4-14-34-21-26/h1-4,6-12,14,21,28-29,33H,5,13,15-20,22-23H2