N-[[2-(dimethylamino)pyridin-4-yl]methyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[[2-(dimethylamino)pyridin-4-yl]methyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[[2-(dimethylamino)-4-pyridyl]methyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[[2-(dimethylamino)-4-pyridinyl]methyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[[2-(dimethylamino)pyridin-4-yl]methyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[[2-(dimethylamino)-4-pyridyl]methyl]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C20H23N5O2 MolecularWeight: 365.42892

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC(=NC=C3)N(C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC(=NC=C3)N(C)C

InChI

InChI=1S/C20H23N5O2/c1-4-11-25-20(27)16-8-6-5-7-15(16)18(23-25)19(26)22-13-14-9-10-21-17(12-14)24(2)3/h5-10,12H,4,11,13H2,1-3H3,(H,22,26)