4-[1-(3,4-dimethylphenyl)-6-oxidanylidene-pyridazin-3-yl]-N-(2-ethylphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[1-(3,4-dimethylphenyl)-6-oxidanylidene-pyridazin-3-yl]-N-(2-ethylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[1-(3,4-dimethylphenyl)-6-oxo-pyridazin-3-yl]-N-(2-ethylphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[1-(3,4-dimethylphenyl)-6-oxo-3-pyridazinyl]-N-(2-ethylphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]-N-(2-ethylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-[1-(3,4-dimethylphenyl)-6-keto-pyridazin-3-yl]-N-(2-ethylphenyl)-1,4-diazepane-1-carboxamide Formula: C26H31N5O2 MolecularWeight: 445.55664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C26H31N5O2/c1-4-21-8-5-6-9-23(21)27-26(33)30-15-7-14-29(16-17-30)24-12-13-25(32)31(28-24)22-11-10-19(2)20(3)18-22/h5-6,8-13,18H,4,7,14-17H2,1-3H3,(H,27,33)