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

Systemtic Name: 1,4-diazepan-1-yl-[4-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidin-2-yl]methanone Openeye Name: 1,4-diazepan-1-yl-[4-[(4-fluorophenyl)methyl-(2-thienylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]methanone CAS Name: 1,4-diazepan-1-yl-[4-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinyl]methanone IUPAC Name: 1,4-diazepan-1-yl-[4-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]methanone Traditional Name: 1,4-diazepan-1-yl-[4-[(4-fluorobenzyl)-(2-thenyl)amino]-1-nicotinoyl-pyrrolidin-2-yl]methanone Formula: C28H32FN5O2S MolecularWeight: 521.649383

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2CC(CN2C(=O)C3=CN=CC=C3)N(CC4=CC=C(C=C4)F)CC5=CC=CS5

Isomeric SMILES

C1CNCCN(C1)C(=O)C2CC(CN2C(=O)C3=CN=CC=C3)N(CC4=CC=C(C=C4)F)CC5=CC=CS5

InChI

InChI=1S/C28H32FN5O2S/c29-23-8-6-21(7-9-23)18-33(20-25-5-2-15-37-25)24-16-26(28(36)32-13-3-11-30-12-14-32)34(19-24)27(35)22-4-1-10-31-17-22/h1-2,4-10,15,17,24,26,30H,3,11-14,16,18-20H2