N-[(Z)-1-(4-aminophenyl)ethylideneamino]-3-(3-methylbutyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-1-(4-aminophenyl)ethylideneamino]-3-(3-methylbutyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(Z)-1-(4-aminophenyl)ethylideneamino]-3-isopentyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(Z)-1-(4-aminophenyl)ethylideneamino]-3-(3-methylbutyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(Z)-1-(4-aminophenyl)ethylideneamino]-3-(3-methylbutyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-[(Z)-1-(4-aminophenyl)ethylideneamino]-3-isoamyl-4-keto-phthalazine-1-carboxamide Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O2/c1-14(2)12-13-27-22(29)19-7-5-4-6-18(19)20(26-27)21(28)25-24-15(3)16-8-10-17(23)11-9-16/h4-11,14H,12-13,23H2,1-3H3,(H,25,28)/b24-15-