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

Systemtic Name: 1,4-diazepan-1-yl-[4-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidin-2-yl]methanone Openeye Name: 1,4-diazepan-1-yl-[4-[(4-fluorophenyl)methyl-(tetrahydrofuran-2-ylmethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone CAS Name: 1,4-diazepan-1-yl-[4-[(4-fluorophenyl)methyl-(2-oxolanylmethyl)amino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]methanone IUPAC Name: 1,4-diazepan-1-yl-[4-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone Traditional Name: 1,4-diazepan-1-yl-[4-[(4-fluorobenzyl)-(tetrahydrofurfuryl)amino]-1-(2-thenoyl)pyrrolidin-2-yl]methanone Formula: C27H35FN4O3S MolecularWeight: 514.655203

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN(CC2=CC=C(C=C2)F)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)N5CCCNCC5

Isomeric SMILES

C1CC(OC1)CN(CC2=CC=C(C=C2)F)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)N5CCCNCC5

InChI

InChI=1S/C27H35FN4O3S/c28-21-8-6-20(7-9-21)17-31(19-23-4-1-14-35-23)22-16-24(26(33)30-12-3-10-29-11-13-30)32(18-22)27(34)25-5-2-15-36-25/h2,5-9,15,22-24,29H,1,3-4,10-14,16-19H2