N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[1-oxidanylidene-4-(pyridin-4-ylmethyl)phthalazin-2-yl]ethanamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[1-oxidanylidene-4-(pyridin-4-ylmethyl)phthalazin-2-yl]ethanamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[1-oxo-4-(4-pyridylmethyl)phthalazin-2-yl]acetamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[1-oxo-4-(pyridin-4-ylmethyl)-2-phthalazinyl]acetamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[1-keto-4-(4-pyridylmethyl)phthalazin-2-yl]acetamide Formula: C25H21N5O3S MolecularWeight: 471.53094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=NC=C5

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=NC=C5

InChI

InChI=1S/C25H21N5O3S/c1-2-33-17-7-8-20-22(14-17)34-25(27-20)28-23(31)15-30-24(32)19-6-4-3-5-18(19)21(29-30)13-16-9-11-26-12-10-16/h3-12,14H,2,13,15H2,1H3,(H,27,28,31)