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

Systemtic Name: 1,4-diazepan-1-yl-[4-[(4-fluorophenyl)methyl-(2-methylpropyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidin-2-yl]methanone Openeye Name: 1,4-diazepan-1-yl-[4-[(4-fluorophenyl)methyl-isobutyl-amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone CAS Name: 1,4-diazepan-1-yl-[4-[(4-fluorophenyl)methyl-(2-methylpropyl)amino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]methanone IUPAC Name: 1,4-diazepan-1-yl-[4-[(4-fluorophenyl)methyl-(2-methylpropyl)amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone Traditional Name: 1,4-diazepan-1-yl-[4-[(4-fluorobenzyl)-isobutyl-amino]-1-(2-thenoyl)pyrrolidin-2-yl]methanone Formula: C26H35FN4O2S MolecularWeight: 486.645103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=C(C=C1)F)C2CC(N(C2)C(=O)C3=CC=CS3)C(=O)N4CCCNCC4

Isomeric SMILES

CC(C)CN(CC1=CC=C(C=C1)F)C2CC(N(C2)C(=O)C3=CC=CS3)C(=O)N4CCCNCC4

InChI

InChI=1S/C26H35FN4O2S/c1-19(2)16-30(17-20-6-8-21(27)9-7-20)22-15-23(25(32)29-12-4-10-28-11-13-29)31(18-22)26(33)24-5-3-14-34-24/h3,5-9,14,19,22-23,28H,4,10-13,15-18H2,1-2H3