3-[2-[[3-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[2-[[3-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-[3-(2-amino-2-oxo-ethoxy)anilino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-[3-(2-amino-2-oxoethoxy)anilino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-[3-(2-amino-2-oxoethoxy)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-[2-[3-(2-amino-2-keto-ethoxy)anilino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C19H17N5O5 MolecularWeight: 395.36878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC(=CC=C3)OCC(=O)N)C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC(=CC=C3)OCC(=O)N)C(=O)N

InChI

InChI=1S/C19H17N5O5/c20-15(25)10-29-12-5-3-4-11(8-12)22-16(26)9-24-19(28)14-7-2-1-6-13(14)17(23-24)18(21)27/h1-8H,9-10H2,(H2,20,25)(H2,21,27)(H,22,26)