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

Systemtic Name: 1-[4-bromanyl-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl-phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea Openeye Name: 1-[4-bromo-2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea CAS Name: 1-[4-bromo-2-[[(3R,5S)-3,5-dimethyl-1-piperidinyl]-oxomethyl]phenyl]-3-[(5-methyl-2-pyrazinyl)methyl]urea IUPAC Name: 1-[4-bromo-2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea Traditional Name: 1-[4-bromo-2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea Formula: C21H26BrN5O2 MolecularWeight: 460.36744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26BrN5O2/c1-13-6-14(2)12-27(11-13)20(28)18-7-16(22)4-5-19(18)26-21(29)25-10-17-9-23-15(3)8-24-17/h4-5,7-9,13-14H,6,10-12H2,1-3H3,(H2,25,26,29)/t13-,14+