4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)-N-prop-2-ynyl-piperazine-1-carboxamide

Systemtic Name: 4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)-N-prop-2-ynyl-piperazine-1-carboxamide Openeye Name: 4-(5-chloro-6-oxo-1-phenyl-pyridazin-4-yl)-N-prop-2-ynyl-piperazine-1-carboxamide CAS Name: 4-(5-chloro-6-oxo-1-phenyl-4-pyridazinyl)-N-prop-2-ynyl-1-piperazinecarboxamide IUPAC Name: 4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N-prop-2-ynylpiperazine-1-carboxamide Traditional Name: 4-(5-chloro-6-keto-1-phenyl-pyridazin-4-yl)-N-propargyl-piperazine-1-carboxamide Formula: C18H18ClN5O2 MolecularWeight: 371.82082

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)N1CCN(CC1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl

Isomeric SMILES

C#CCNC(=O)N1CCN(CC1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C18H18ClN5O2/c1-2-8-20-18(26)23-11-9-22(10-12-23)15-13-21-24(17(25)16(15)19)14-6-4-3-5-7-14/h1,3-7,13H,8-12H2,(H,20,26)