methyl 2-[4-oxidanylidene-5-(phenylmethyl)pyridazino[4,5-b]indol-3-yl]ethanoate

Systemtic Name: methyl 2-[4-oxidanylidene-5-(phenylmethyl)pyridazino[4,5-b]indol-3-yl]ethanoate Openeye Name: methyl 2-(5-benzyl-4-oxo-pyridazino[4,5-b]indol-3-yl)acetate CAS Name: 2-[4-oxo-5-(phenylmethyl)-3-pyridazino[4,5-b]indolyl]acetic acid methyl ester IUPAC Name: methyl 2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)acetate Traditional Name: 2-(5-benzyl-4-keto-pyridazin[4,5-b]indol-3-yl)acetic acid methyl ester Formula: C20H17N3O3 MolecularWeight: 347.36728

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C2=C(C=N1)C3=CC=CC=C3N2CC4=CC=CC=C4

Isomeric SMILES

COC(=O)CN1C(=O)C2=C(C=N1)C3=CC=CC=C3N2CC4=CC=CC=C4

InChI

InChI=1S/C20H17N3O3/c1-26-18(24)13-23-20(25)19-16(11-21-23)15-9-5-6-10-17(15)22(19)12-14-7-3-2-4-8-14/h2-11H,12-13H2,1H3