4-(3-methylpiperidin-1-yl)carbonyl-2-pentyl-phthalazin-1-one

Systemtic Name: 4-(3-methylpiperidin-1-yl)carbonyl-2-pentyl-phthalazin-1-one Openeye Name: 4-(3-methylpiperidine-1-carbonyl)-2-pentyl-phthalazin-1-one CAS Name: 4-[(3-methyl-1-piperidinyl)-oxomethyl]-2-pentyl-1-phthalazinone IUPAC Name: 4-(3-methylpiperidine-1-carbonyl)-2-pentylphthalazin-1-one Traditional Name: 2-amyl-4-(3-methylpiperidine-1-carbonyl)phthalazin-1-one Formula: C20H27N3O2 MolecularWeight: 341.44728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCC(C3)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCC(C3)C

InChI

InChI=1S/C20H27N3O2/c1-3-4-7-13-23-19(24)17-11-6-5-10-16(17)18(21-23)20(25)22-12-8-9-15(2)14-22/h5-6,10-11,15H,3-4,7-9,12-14H2,1-2H3