3-[2-[(3-chloranyl-2,6-diethyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[2-[(3-chloranyl-2,6-diethyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-(3-chloro-2,6-diethyl-anilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-(3-chloro-2,6-diethylanilino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-(3-chloro-2,6-diethylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-[2-(3-chloro-2,6-diethyl-anilino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N

Isomeric SMILES

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N

InChI

InChI=1S/C21H21ClN4O3/c1-3-12-9-10-16(22)13(4-2)18(12)24-17(27)11-26-21(29)15-8-6-5-7-14(15)19(25-26)20(23)28/h5-10H,3-4,11H2,1-2H3,(H2,23,28)(H,24,27)