3-(3-chloranyl-4-fluoranyl-phenyl)-1-[4-(3-cyanophenyl)cyclohex-3-en-1-yl]-1-(2-pyrrolidin-1-ylethyl)urea

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-1-[4-(3-cyanophenyl)cyclohex-3-en-1-yl]-1-(2-pyrrolidin-1-ylethyl)urea Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-1-[4-(3-cyanophenyl)cyclohex-3-en-1-yl]-1-(2-pyrrolidin-1-ylethyl)urea CAS Name: 3-(3-chloro-4-fluorophenyl)-1-[4-(3-cyanophenyl)-1-cyclohex-3-enyl]-1-[2-(1-pyrrolidinyl)ethyl]urea IUPAC Name: 3-(3-chloro-4-fluorophenyl)-1-[4-(3-cyanophenyl)cyclohex-3-en-1-yl]-1-(2-pyrrolidin-1-ylethyl)urea Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-1-[4-(3-cyanophenyl)cyclohex-3-en-1-yl]-1-(2-pyrrolidinoethyl)urea Formula: C26H28ClFN4O MolecularWeight: 466.978123

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN(C2CCC(=CC2)C3=CC=CC(=C3)C#N)C(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CCN(C1)CCN(C2CCC(=CC2)C3=CC=CC(=C3)C#N)C(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C26H28ClFN4O/c27-24-17-22(8-11-25(24)28)30-26(33)32(15-14-31-12-1-2-13-31)23-9-6-20(7-10-23)21-5-3-4-19(16-21)18-29/h3-6,8,11,16-17,23H,1-2,7,9-10,12-15H2,(H,30,33)