1-[(3,5-dimethyl-1H-pyrrol-2-yl)carbonyl]-4-[(3-fluorophenyl)methyl]-1,4-diazepan-5-one

Systemtic Name: 1-[(3,5-dimethyl-1H-pyrrol-2-yl)carbonyl]-4-[(3-fluorophenyl)methyl]-1,4-diazepan-5-one Openeye Name: 1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-4-[(3-fluorophenyl)methyl]-1,4-diazepan-5-one CAS Name: 1-[(3,5-dimethyl-1H-pyrrol-2-yl)-oxomethyl]-4-[(3-fluorophenyl)methyl]-1,4-diazepan-5-one IUPAC Name: 1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-4-[(3-fluorophenyl)methyl]-1,4-diazepan-5-one Traditional Name: 1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-4-(3-fluorobenzyl)-1,4-diazepan-5-one Formula: C19H22FN3O2 MolecularWeight: 343.395283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C(=O)N2CCC(=O)N(CC2)CC3=CC(=CC=C3)F)C

Isomeric SMILES

CC1=CC(=C(N1)C(=O)N2CCC(=O)N(CC2)CC3=CC(=CC=C3)F)C

InChI

InChI=1S/C19H22FN3O2/c1-13-10-14(2)21-18(13)19(25)22-7-6-17(24)23(9-8-22)12-15-4-3-5-16(20)11-15/h3-5,10-11,21H,6-9,12H2,1-2H3