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

Systemtic Name: 1,4-diazepan-1-yl-[4-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidin-2-yl]methanone Openeye Name: 1,4-diazepan-1-yl-[4-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone CAS Name: 1,4-diazepan-1-yl-[4-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]methanone IUPAC Name: 1,4-diazepan-1-yl-[4-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone Traditional Name: 1,4-diazepan-1-yl-[4-[(4-fluorobenzyl)-(2-methoxyethyl)amino]-1-(2-thenoyl)pyrrolidin-2-yl]methanone Formula: C25H33FN4O3S MolecularWeight: 488.617923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33FN4O3S/c1-33-14-13-29(17-19-5-7-20(26)8-6-19)21-16-22(24(31)28-11-3-9-27-10-12-28)30(18-21)25(32)23-4-2-15-34-23/h2,4-8,15,21-22,27H,3,9-14,16-18H2,1H3