N-tert-butyl-2-[4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)-1,4-diazepan-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(5-chloro-6-oxo-1-phenyl-pyridazin-4-yl)-1,4-diazepan-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-(5-chloro-6-oxo-1-phenyl-4-pyridazinyl)-1,4-diazepan-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(5-chloro-6-keto-1-phenyl-pyridazin-4-yl)-1,4-diazepan-1-yl]acetamide Formula: C21H28ClN5O2 MolecularWeight: 417.93232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCCN(CC1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCCN(CC1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H28ClN5O2/c1-21(2,3)24-18(28)15-25-10-7-11-26(13-12-25)17-14-23-27(20(29)19(17)22)16-8-5-4-6-9-16/h4-6,8-9,14H,7,10-13,15H2,1-3H3,(H,24,28)