N-[(3-bromophenyl)methyl]-3-(3,4-dimethyl-7-oxidanylidene-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)propanamide

Systemtic Name: N-[(3-bromophenyl)methyl]-3-(3,4-dimethyl-7-oxidanylidene-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)propanamide Openeye Name: N-[(3-bromophenyl)methyl]-3-(3,4-dimethyl-7-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)propanamide CAS Name: N-[(3-bromophenyl)methyl]-3-(3,4-dimethyl-7-oxo-2-phenyl-6-pyrazolo[3,4-d]pyridazinyl)propanamide IUPAC Name: N-[(3-bromophenyl)methyl]-3-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide Traditional Name: N-(3-bromobenzyl)-3-(7-keto-3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)propionamide Formula: C23H22BrN5O2 MolecularWeight: 480.35708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NN(C(=O)C2=NN1C3=CC=CC=C3)CCC(=O)NCC4=CC(=CC=C4)Br)C

Isomeric SMILES

CC1=C2C(=NN(C(=O)C2=NN1C3=CC=CC=C3)CCC(=O)NCC4=CC(=CC=C4)Br)C

InChI

InChI=1S/C23H22BrN5O2/c1-15-21-16(2)29(19-9-4-3-5-10-19)27-22(21)23(31)28(26-15)12-11-20(30)25-14-17-7-6-8-18(24)13-17/h3-10,13H,11-12,14H2,1-2H3,(H,25,30)