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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CC=CC=C3OCC#C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C\C3=CC=CC=C3OCC#C

InChI

InChI=1S/C22H20N4O3/c1-3-13-26-22(28)18-11-7-6-10-17(18)20(25-26)21(27)24-23-15-16-9-5-8-12-19(16)29-14-4-2/h2,5-12,15H,3,13-14H2,1H3,(H,24,27)/b23-15-