4-[4-(5-phenyl-1,2,3,4-tetrazol-2-yl)piperidin-1-yl]carbonyl-2H-phthalazin-1-one

Systemtic Name: 4-[4-(5-phenyl-1,2,3,4-tetrazol-2-yl)piperidin-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[4-(5-phenyltetrazol-2-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[oxo-[4-(5-phenyl-2-tetrazolyl)-1-piperidinyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(5-phenyltetrazol-2-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(5-phenyltetrazol-2-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one Formula: C21H19N7O2 MolecularWeight: 401.42126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2N=C(N=N2)C3=CC=CC=C3)C(=O)C4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1CN(CCC1N2N=C(N=N2)C3=CC=CC=C3)C(=O)C4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C21H19N7O2/c29-20-17-9-5-4-8-16(17)18(22-24-20)21(30)27-12-10-15(11-13-27)28-25-19(23-26-28)14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,24,29)