N-methyl-3-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-methyl-3-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-(isopentylamino)-2-oxo-ethyl]-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-methyl-3-[2-(3-methylbutylamino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-methyl-3-[2-(3-methylbutylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-[2-(isoamylamino)-2-keto-ethyl]-4-keto-N-methyl-phthalazine-1-carboxamide Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC

Isomeric SMILES

CC(C)CCNC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC

InChI

InChI=1S/C17H22N4O3/c1-11(2)8-9-19-14(22)10-21-17(24)13-7-5-4-6-12(13)15(20-21)16(23)18-3/h4-7,11H,8-10H2,1-3H3,(H,18,23)(H,19,22)