1-[4-bromanyl-2-[(3R,5S)-3,5-dimethylcyclohexyl]carbonyl-phenyl]-3-(pyridin-2-ylmethyl)urea

Systemtic Name: 1-[4-bromanyl-2-[(3R,5S)-3,5-dimethylcyclohexyl]carbonyl-phenyl]-3-(pyridin-2-ylmethyl)urea Openeye Name: 1-[4-bromo-2-[(3R,5S)-3,5-dimethylcyclohexanecarbonyl]phenyl]-3-(2-pyridylmethyl)urea CAS Name: 1-[4-bromo-2-[[(3R,5S)-3,5-dimethylcyclohexyl]-oxomethyl]phenyl]-3-(2-pyridinylmethyl)urea IUPAC Name: 1-[4-bromo-2-[(3R,5S)-3,5-dimethylcyclohexanecarbonyl]phenyl]-3-(pyridin-2-ylmethyl)urea Traditional Name: 1-[4-bromo-2-[(3R,5S)-3,5-dimethylcyclohexanecarbonyl]phenyl]-3-(2-pyridylmethyl)urea Formula: C22H26BrN3O2 MolecularWeight: 444.36474

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)C(=O)C2=C(C=CC(=C2)Br)NC(=O)NCC3=CC=CC=N3)C

Isomeric SMILES

C[C@@H]1C[C@@H](CC(C1)C(=O)C2=C(C=CC(=C2)Br)NC(=O)NCC3=CC=CC=N3)C

InChI

InChI=1S/C22H26BrN3O2/c1-14-9-15(2)11-16(10-14)21(27)19-12-17(23)6-7-20(19)26-22(28)25-13-18-5-3-4-8-24-18/h3-8,12,14-16H,9-11,13H2,1-2H3,(H2,25,26,28)/t14-,15+,16?