N-[bis(azanyl)methylidene]-5-(phenylmethoxymethyl)-1-quinolin-5-yl-pyrazole-4-carboxamide

Systemtic Name: N-[bis(azanyl)methylidene]-5-(phenylmethoxymethyl)-1-quinolin-5-yl-pyrazole-4-carboxamide Openeye Name: 5-(benzyloxymethyl)-N-(diaminomethylene)-1-(5-quinolyl)pyrazole-4-carboxamide CAS Name: N-(diaminomethylidene)-5-(phenylmethoxymethyl)-1-(5-quinolinyl)-4-pyrazolecarboxamide IUPAC Name: N-(diaminomethylidene)-5-(phenylmethoxymethyl)-1-quinolin-5-ylpyrazole-4-carboxamide Traditional Name: 5-(benzoxymethyl)-N-(diaminomethylene)-1-(5-quinolyl)pyrazole-4-carboxamide Formula: C22H20N6O2 MolecularWeight: 400.4332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2=C(C=NN2C3=CC=CC4=C3C=CC=N4)C(=O)N=C(N)N

Isomeric SMILES

C1=CC=C(C=C1)COCC2=C(C=NN2C3=CC=CC4=C3C=CC=N4)C(=O)N=C(N)N

InChI

InChI=1S/C22H20N6O2/c23-22(24)27-21(29)17-12-26-28(19-10-4-9-18-16(19)8-5-11-25-18)20(17)14-30-13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H4,23,24,27,29)