N-[(Z)-1-(4-butylphenyl)ethylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-1-(4-butylphenyl)ethylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(Z)-1-(4-butylphenyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(Z)-1-(4-butylphenyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(Z)-1-(4-butylphenyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[(Z)-1-(4-butylphenyl)ethylideneamino]-4-keto-3H-phthalazine-1-carboxamide Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=NNC(=O)C2=NNC(=O)C3=CC=CC=C32)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)/C(=N\NC(=O)C2=NNC(=O)C3=CC=CC=C32)/C

InChI

InChI=1S/C21H22N4O2/c1-3-4-7-15-10-12-16(13-11-15)14(2)22-25-21(27)19-17-8-5-6-9-18(17)20(26)24-23-19/h5-6,8-13H,3-4,7H2,1-2H3,(H,24,26)(H,25,27)/b22-14-