1-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-3-(3-fluorophenyl)-1-phenethyl-urea

Systemtic Name: 1-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-3-(3-fluorophenyl)-1-phenethyl-urea Openeye Name: 1-[1-[(3-cyanophenyl)methyl]-4-piperidyl]-3-(3-fluorophenyl)-1-phenethyl-urea CAS Name: 1-[1-[(3-cyanophenyl)methyl]-4-piperidinyl]-3-(3-fluorophenyl)-1-phenethylurea IUPAC Name: 1-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-3-(3-fluorophenyl)-1-phenethylurea Traditional Name: 1-[1-(3-cyanobenzyl)-4-piperidyl]-3-(3-fluorophenyl)-1-phenethyl-urea Formula: C28H29FN4O MolecularWeight: 456.554463

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N(CCC2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)F)CC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCC1N(CCC2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)F)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C28H29FN4O/c29-25-10-5-11-26(19-25)31-28(34)33(17-12-22-6-2-1-3-7-22)27-13-15-32(16-14-27)21-24-9-4-8-23(18-24)20-30/h1-11,18-19,27H,12-17,21H2,(H,31,34)