methyl 4-[5-(1,3-benzodioxol-5-ylmethylamino)-3-chloranyl-6-oxidanylidene-1-phenyl-pyrazin-2-yl]benzoate

Systemtic Name: methyl 4-[5-(1,3-benzodioxol-5-ylmethylamino)-3-chloranyl-6-oxidanylidene-1-phenyl-pyrazin-2-yl]benzoate Openeye Name: methyl 4-[5-(1,3-benzodioxol-5-ylmethylamino)-3-chloro-6-oxo-1-phenyl-pyrazin-2-yl]benzoate CAS Name: 4-[5-(1,3-benzodioxol-5-ylmethylamino)-3-chloro-6-oxo-1-phenyl-2-pyrazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(1,3-benzodioxol-5-ylmethylamino)-3-chloro-6-oxo-1-phenylpyrazin-2-yl]benzoate Traditional Name: 4-[3-chloro-6-keto-1-phenyl-5-(piperonylamino)pyrazin-2-yl]benzoic acid methyl ester Formula: C26H20ClN3O5 MolecularWeight: 489.9071

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=C(N=C(C(=O)N2C3=CC=CC=C3)NCC4=CC5=C(C=C4)OCO5)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=C(N=C(C(=O)N2C3=CC=CC=C3)NCC4=CC5=C(C=C4)OCO5)Cl

InChI

InChI=1S/C26H20ClN3O5/c1-33-26(32)18-10-8-17(9-11-18)22-23(27)29-24(25(31)30(22)19-5-3-2-4-6-19)28-14-16-7-12-20-21(13-16)35-15-34-20/h2-13H,14-15H2,1H3,(H,28,29)