4-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]carbonyl-2H-phthalazin-1-one

Systemtic Name: 4-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]-2H-phthalazin-1-one Formula: C22H21N7O2 MolecularWeight: 415.44784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)N)C(=O)C4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)N)C(=O)C4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C22H21N7O2/c23-20-16-7-3-4-8-17(16)24-18(25-20)13-28-9-11-29(12-10-28)22(31)19-14-5-1-2-6-15(14)21(30)27-26-19/h1-8H,9-13H2,(H,27,30)(H2,23,24,25)