N-methyl-4-oxidanylidene-3-[[4-[2-oxidanylidene-2-(propylamino)ethyl]piperazin-1-yl]methyl]phthalazine-1-carboxamide

Systemtic Name: N-methyl-4-oxidanylidene-3-[[4-[2-oxidanylidene-2-(propylamino)ethyl]piperazin-1-yl]methyl]phthalazine-1-carboxamide Openeye Name: N-methyl-4-oxo-3-[[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]methyl]phthalazine-1-carboxamide CAS Name: N-methyl-4-oxo-3-[[4-[2-oxo-2-(propylamino)ethyl]-1-piperazinyl]methyl]-1-phthalazinecarboxamide IUPAC Name: N-methyl-4-oxo-3-[[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]methyl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-[[4-[2-keto-2-(propylamino)ethyl]piperazino]methyl]-N-methyl-phthalazine-1-carboxamide Formula: C20H28N6O3 MolecularWeight: 400.47472

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN1CCN(CC1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC

Isomeric SMILES

CCCNC(=O)CN1CCN(CC1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC

InChI

InChI=1S/C20H28N6O3/c1-3-8-22-17(27)13-24-9-11-25(12-10-24)14-26-20(29)16-7-5-4-6-15(16)18(23-26)19(28)21-2/h4-7H,3,8-14H2,1-2H3,(H,21,28)(H,22,27)