N-[1-(2-methylpropanoyl)piperidin-4-yl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[1-(2-methylpropanoyl)piperidin-4-yl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[1-(2-methylpropanoyl)-4-piperidyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[1-(2-methyl-1-oxopropyl)-4-piperidinyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[1-(2-methylpropanoyl)piperidin-4-yl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-(1-isobutyryl-4-piperidyl)-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3CCN(CC3)C(=O)C(C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3CCN(CC3)C(=O)C(C)C

InChI

InChI=1S/C21H28N4O3/c1-4-11-25-21(28)17-8-6-5-7-16(17)18(23-25)19(26)22-15-9-12-24(13-10-15)20(27)14(2)3/h5-8,14-15H,4,9-13H2,1-3H3,(H,22,26)