6-methyl-3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-1-phenyl-pyridazin-4-one

Systemtic Name: 6-methyl-3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-1-phenyl-pyridazin-4-one Openeye Name: 6-methyl-1-phenyl-3-[4-(p-tolylmethyl)-1,4-diazepane-1-carbonyl]pyridazin-4-one CAS Name: 6-methyl-3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-1-phenyl-4-pyridazinone IUPAC Name: 6-methyl-3-[4-[(4-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]-1-phenylpyridazin-4-one Traditional Name: 6-methyl-3-[4-(4-methylbenzyl)-1,4-diazepane-1-carbonyl]-1-phenyl-pyridazin-4-one Formula: C25H28N4O2 MolecularWeight: 416.51542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=NN(C(=CC3=O)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=NN(C(=CC3=O)C)C4=CC=CC=C4

InChI

InChI=1S/C25H28N4O2/c1-19-9-11-21(12-10-19)18-27-13-6-14-28(16-15-27)25(31)24-23(30)17-20(2)29(26-24)22-7-4-3-5-8-22/h3-5,7-12,17H,6,13-16,18H2,1-2H3