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

Systemtic Name: N-[(E)-1-[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]ethylideneamino]-3-ethyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(E)-1-[4-(2-amino-2-oxo-ethoxy)phenyl]ethylideneamino]-3-ethyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(E)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-3-ethyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(E)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-3-ethyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(E)-1-[4-(2-amino-2-keto-ethoxy)phenyl]ethylideneamino]-3-ethyl-4-keto-phthalazine-1-carboxamide Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=C(C)C3=CC=C(C=C3)OCC(=O)N

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C(\C)/C3=CC=C(C=C3)OCC(=O)N

InChI

InChI=1S/C21H21N5O4/c1-3-26-21(29)17-7-5-4-6-16(17)19(25-26)20(28)24-23-13(2)14-8-10-15(11-9-14)30-12-18(22)27/h4-11H,3,12H2,1-2H3,(H2,22,27)(H,24,28)/b23-13+