N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C22H25ClN4O2 MolecularWeight: 412.9125

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CC=CC=C3Cl)N(C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CC=CC=C3Cl)N(C)C

InChI

InChI=1S/C22H25ClN4O2/c1-4-13-27-22(29)16-10-6-5-9-15(16)20(25-27)21(28)24-14-19(26(2)3)17-11-7-8-12-18(17)23/h5-12,19H,4,13-14H2,1-3H3,(H,24,28)