4-[4-(phenylmethyl)piperidin-1-yl]carbonyl-2H-phthalazin-1-one

Systemtic Name: 4-[4-(phenylmethyl)piperidin-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-(4-benzylpiperidine-1-carbonyl)-2H-phthalazin-1-one CAS Name: 4-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-(4-benzylpiperidine-1-carbonyl)-2H-phthalazin-1-one Traditional Name: 4-(4-benzylpiperidine-1-carbonyl)-2H-phthalazin-1-one Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H21N3O2/c25-20-18-9-5-4-8-17(18)19(22-23-20)21(26)24-12-10-16(11-13-24)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,23,25)