1-[4-bromanyl-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl-phenyl]-3-[(1,5-dimethylpyrazol-3-yl)methyl]urea

Systemtic Name: 1-[4-bromanyl-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl-phenyl]-3-[(1,5-dimethylpyrazol-3-yl)methyl]urea Openeye Name: 1-[4-bromo-2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-3-[(1,5-dimethylpyrazol-3-yl)methyl]urea CAS Name: 1-[4-bromo-2-[[(3R,5S)-3,5-dimethyl-1-piperidinyl]-oxomethyl]phenyl]-3-[(1,5-dimethyl-3-pyrazolyl)methyl]urea IUPAC Name: 1-[4-bromo-2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-3-[(1,5-dimethylpyrazol-3-yl)methyl]urea Traditional Name: 1-[4-bromo-2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-3-[(1,5-dimethylpyrazol-3-yl)methyl]urea Formula: C21H28BrN5O2 MolecularWeight: 462.38332

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2=C(C=CC(=C2)Br)NC(=O)NCC3=NN(C(=C3)C)C)C

Isomeric SMILES

C[C@@H]1C[C@@H](CN(C1)C(=O)C2=C(C=CC(=C2)Br)NC(=O)NCC3=NN(C(=C3)C)C)C

InChI

InChI=1S/C21H28BrN5O2/c1-13-7-14(2)12-27(11-13)20(28)18-9-16(22)5-6-19(18)24-21(29)23-10-17-8-15(3)26(4)25-17/h5-6,8-9,13-14H,7,10-12H2,1-4H3,(H2,23,24,29)/t13-,14+