ethyl 2-[[4-(6-oxidanylidene-1-phenyl-pyridazin-3-yl)-1,4-diazepan-1-yl]carbonylamino]ethanoate

Systemtic Name: ethyl 2-[[4-(6-oxidanylidene-1-phenyl-pyridazin-3-yl)-1,4-diazepan-1-yl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[4-(6-oxo-1-phenyl-pyridazin-3-yl)-1,4-diazepane-1-carbonyl]amino]acetate CAS Name: 2-[[oxo-[4-(6-oxo-1-phenyl-3-pyridazinyl)-1,4-diazepan-1-yl]methyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-(6-oxo-1-phenylpyridazin-3-yl)-1,4-diazepane-1-carbonyl]amino]acetate Traditional Name: 2-[[4-(6-keto-1-phenyl-pyridazin-3-yl)-1,4-diazepane-1-carbonyl]amino]acetic acid ethyl ester Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)N1CCCN(CC1)C2=NN(C(=O)C=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CNC(=O)N1CCCN(CC1)C2=NN(C(=O)C=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H25N5O4/c1-2-29-19(27)15-21-20(28)24-12-6-11-23(13-14-24)17-9-10-18(26)25(22-17)16-7-4-3-5-8-16/h3-5,7-10H,2,6,11-15H2,1H3,(H,21,28)