N-(3,4-dimethylphenyl)-4-[1-(4-fluorophenyl)-6-oxidanylidene-pyridazin-3-yl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(3,4-dimethylphenyl)-4-[1-(4-fluorophenyl)-6-oxidanylidene-pyridazin-3-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-(3,4-dimethylphenyl)-4-[1-(4-fluorophenyl)-6-oxo-pyridazin-3-yl]-1,4-diazepane-1-carboxamide CAS Name: N-(3,4-dimethylphenyl)-4-[1-(4-fluorophenyl)-6-oxo-3-pyridazinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(3,4-dimethylphenyl)-4-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-(3,4-dimethylphenyl)-4-[1-(4-fluorophenyl)-6-keto-pyridazin-3-yl]-1,4-diazepane-1-carboxamide Formula: C24H26FN5O2 MolecularWeight: 435.493943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C24H26FN5O2/c1-17-4-7-20(16-18(17)2)26-24(32)29-13-3-12-28(14-15-29)22-10-11-23(31)30(27-22)21-8-5-19(25)6-9-21/h4-11,16H,3,12-15H2,1-2H3,(H,26,32)