N-butyl-2-[4-(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylpiperazin-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylpiperazin-1-yl]ethanamide Openeye Name: N-butyl-2-[4-(3-methyl-4-oxo-phthalazine-1-carbonyl)piperazin-1-yl]acetamide CAS Name: N-butyl-2-[4-[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]-1-piperazinyl]acetamide IUPAC Name: N-butyl-2-[4-(3-methyl-4-oxophthalazine-1-carbonyl)piperazin-1-yl]acetamide Traditional Name: N-butyl-2-[4-(4-keto-3-methyl-phthalazine-1-carbonyl)piperazino]acetamide Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1CCN(CC1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CCCCNC(=O)CN1CCN(CC1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C20H27N5O3/c1-3-4-9-21-17(26)14-24-10-12-25(13-11-24)20(28)18-15-7-5-6-8-16(15)19(27)23(2)22-18/h5-8H,3-4,9-14H2,1-2H3,(H,21,26)