4-oxidanylidene-3-propan-2-yl-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-propan-2-yl-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]phthalazine-1-carboxamide Openeye Name: 3-isopropyl-4-oxo-N-[(Z)-(2-prop-2-ynoxyphenyl)methyleneamino]phthalazine-1-carboxamide CAS Name: 4-oxo-3-propan-2-yl-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-propan-2-yl-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]phthalazine-1-carboxamide Traditional Name: 3-isopropyl-4-keto-N-[(Z)-(2-propargyloxybenzylidene)amino]phthalazine-1-carboxamide Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CC=CC=C3OCC#C

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C\C3=CC=CC=C3OCC#C

InChI

InChI=1S/C22H20N4O3/c1-4-13-29-19-12-8-5-9-16(19)14-23-24-21(27)20-17-10-6-7-11-18(17)22(28)26(25-20)15(2)3/h1,5-12,14-15H,13H2,2-3H3,(H,24,27)/b23-14-