3-(3-cyanophenyl)-1-cyclohexyl-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea

Systemtic Name: 3-(3-cyanophenyl)-1-cyclohexyl-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea Openeye Name: 3-(3-cyanophenyl)-1-cyclohexyl-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea CAS Name: 3-(3-cyanophenyl)-1-cyclohexyl-1-[[1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methyl]urea IUPAC Name: 3-(3-cyanophenyl)-1-cyclohexyl-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea Traditional Name: 3-(3-cyanophenyl)-1-cyclohexyl-1-[[1-(3-fluorobenzyl)pyrrol-2-yl]methyl]urea Formula: C26H27FN4O MolecularWeight: 430.517183

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CC2=CC=CN2CC3=CC(=CC=C3)F)C(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CCC(CC1)N(CC2=CC=CN2CC3=CC(=CC=C3)F)C(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C26H27FN4O/c27-22-9-4-8-21(15-22)18-30-14-6-13-25(30)19-31(24-11-2-1-3-12-24)26(32)29-23-10-5-7-20(16-23)17-28/h4-10,13-16,24H,1-3,11-12,18-19H2,(H,29,32)