N-[2-(furan-2-yl)-2-piperidin-1-yl-ethyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[2-(furan-2-yl)-2-piperidin-1-yl-ethyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[2-(2-furyl)-2-(1-piperidyl)ethyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[2-(2-furanyl)-2-(1-piperidinyl)ethyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-[2-(2-furyl)-2-piperidino-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C25H32N4O3 MolecularWeight: 436.54658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CC=CO3)N4CCCCC4

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CC=CO3)N4CCCCC4

InChI

InChI=1S/C25H32N4O3/c1-2-3-7-16-29-25(31)20-12-6-5-11-19(20)23(27-29)24(30)26-18-21(22-13-10-17-32-22)28-14-8-4-9-15-28/h5-6,10-13,17,21H,2-4,7-9,14-16,18H2,1H3,(H,26,30)