N-[(Z)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-3-ethyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-3-ethyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(Z)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-3-ethyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(Z)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-3-ethyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(Z)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-3-ethyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(Z)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-3-ethyl-4-keto-phthalazine-1-carboxamide Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CCC(C)CCC=C(C)C

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C\C[C@H](C)CCC=C(C)C

InChI

InChI=1S/C21H28N4O2/c1-5-25-21(27)18-12-7-6-11-17(18)19(24-25)20(26)23-22-14-13-16(4)10-8-9-15(2)3/h6-7,9,11-12,14,16H,5,8,10,13H2,1-4H3,(H,23,26)/b22-14-/t16-/m1/s1