N-[[(2S,6S)-2,6-dimethylcyclohexylidene]amino]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[[(2S,6S)-2,6-dimethylcyclohexylidene]amino]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[[(2S,6S)-2,6-dimethylcyclohexylidene]amino]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[[(2S,6S)-2,6-dimethylcyclohexylidene]amino]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[[(2S,6S)-2,6-dimethylcyclohexylidene]amino]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[[(2S,6S)-2,6-dimethylcyclohexylidene]amino]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C20H26N4O2 MolecularWeight: 354.44604

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=C3C(CCCC3C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=C3[C@H](CCC[C@@H]3C)C

InChI

InChI=1S/C20H26N4O2/c1-4-12-24-20(26)16-11-6-5-10-15(16)18(23-24)19(25)22-21-17-13(2)8-7-9-14(17)3/h5-6,10-11,13-14H,4,7-9,12H2,1-3H3,(H,22,25)/t13-,14-/m0/s1