4-oxidanylidene-N-(pentan-3-ylideneamino)-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-(pentan-3-ylideneamino)-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(1-ethylpropylideneamino)-4-oxo-phthalazine-1-carboxamide CAS Name: 4-oxo-N-(pentan-3-ylideneamino)-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-4-oxo-N-(pentan-3-ylideneamino)phthalazine-1-carboxamide Traditional Name: 3-benzyl-N-(1-ethylpropylideneamino)-4-keto-phthalazine-1-carboxamide Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3)CC

Isomeric SMILES

CCC(=NNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3)CC

InChI

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