1-(4-fluorophenyl)-4-[[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]carbonyl]pyrrolidin-2-one

Systemtic Name: 1-(4-fluorophenyl)-4-[[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]carbonyl]pyrrolidin-2-one Openeye Name: 1-(4-fluorophenyl)-4-[4-(3-thienylmethyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one CAS Name: 1-(4-fluorophenyl)-4-[oxo-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]methyl]-2-pyrrolidinone IUPAC Name: 1-(4-fluorophenyl)-4-[4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one Traditional Name: 1-(4-fluorophenyl)-4-[4-(3-thenyl)-1,4-diazepane-1-carbonyl]-2-pyrrolidone Formula: C21H24FN3O2S MolecularWeight: 401.497563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)F)CC4=CSC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)F)CC4=CSC=C4

InChI

InChI=1S/C21H24FN3O2S/c22-18-2-4-19(5-3-18)25-14-17(12-20(25)26)21(27)24-8-1-7-23(9-10-24)13-16-6-11-28-15-16/h2-6,11,15,17H,1,7-10,12-14H2