4-bromanyl-1-methyl-5-[(3-methyl-3-phenyl-piperidin-1-yl)methyl]-2-phenyl-pyrazol-3-one

Systemtic Name: 4-bromanyl-1-methyl-5-[(3-methyl-3-phenyl-piperidin-1-yl)methyl]-2-phenyl-pyrazol-3-one Openeye Name: 4-bromo-1-methyl-5-[(3-methyl-3-phenyl-1-piperidyl)methyl]-2-phenyl-pyrazol-3-one CAS Name: 4-bromo-1-methyl-5-[(3-methyl-3-phenyl-1-piperidinyl)methyl]-2-phenyl-3-pyrazolone IUPAC Name: 4-bromo-1-methyl-5-[(3-methyl-3-phenylpiperidin-1-yl)methyl]-2-phenylpyrazol-3-one Traditional Name: 4-bromo-1-methyl-5-[(3-methyl-3-phenyl-piperidino)methyl]-2-phenyl-3-pyrazolin-3-one Formula: C23H26BrN3O MolecularWeight: 440.37604

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN(C1)CC2=C(C(=O)N(N2C)C3=CC=CC=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CC1(CCCN(C1)CC2=C(C(=O)N(N2C)C3=CC=CC=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C23H26BrN3O/c1-23(18-10-5-3-6-11-18)14-9-15-26(17-23)16-20-21(24)22(28)27(25(20)2)19-12-7-4-8-13-19/h3-8,10-13H,9,14-17H2,1-2H3