N-[2-[(3-ethynylphenyl)amino]-2-oxidanylidene-ethyl]-1-(2-methoxyethyl)-6-oxidanylidene-pyridazine-3-carboxamide

Systemtic Name: N-[2-[(3-ethynylphenyl)amino]-2-oxidanylidene-ethyl]-1-(2-methoxyethyl)-6-oxidanylidene-pyridazine-3-carboxamide Openeye Name: N-[2-(3-ethynylanilino)-2-oxo-ethyl]-1-(2-methoxyethyl)-6-oxo-pyridazine-3-carboxamide CAS Name: N-[2-(3-ethynylanilino)-2-oxoethyl]-1-(2-methoxyethyl)-6-oxo-3-pyridazinecarboxamide IUPAC Name: N-[2-(3-ethynylanilino)-2-oxoethyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide Traditional Name: N-[2-(3-ethynylanilino)-2-keto-ethyl]-6-keto-1-(2-methoxyethyl)pyridazine-3-carboxamide Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C=CC(=N1)C(=O)NCC(=O)NC2=CC=CC(=C2)C#C

Isomeric SMILES

COCCN1C(=O)C=CC(=N1)C(=O)NCC(=O)NC2=CC=CC(=C2)C#C

InChI

InChI=1S/C18H18N4O4/c1-3-13-5-4-6-14(11-13)20-16(23)12-19-18(25)15-7-8-17(24)22(21-15)9-10-26-2/h1,4-8,11H,9-10,12H2,2H3,(H,19,25)(H,20,23)