3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[4-(diethylamino)phenyl]benzamide

Systemtic Name: 3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[4-(diethylamino)phenyl]benzamide Openeye Name: 3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[4-(diethylamino)phenyl]benzamide CAS Name: 3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-[4-(diethylamino)phenyl]benzamide IUPAC Name: 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(diethylamino)phenyl]benzamide Traditional Name: 3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[4-(diethylamino)phenyl]benzamide Formula: C23H27BrN4O MolecularWeight: 455.39068

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)CN3C(=C(C(=N3)C)Br)C

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)CN3C(=C(C(=N3)C)Br)C

InChI

InChI=1S/C23H27BrN4O/c1-5-27(6-2)21-12-10-20(11-13-21)25-23(29)19-9-7-8-18(14-19)15-28-17(4)22(24)16(3)26-28/h7-14H,5-6,15H2,1-4H3,(H,25,29)