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

Systemtic Name: 4-[2-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxo-ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-2-oxoethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-2-keto-ethyl]-2H-phthalazin-1-one Formula: C23H23N7O2 MolecularWeight: 429.47442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)N)C(=O)CC4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)N)C(=O)CC4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C23H23N7O2/c24-22-17-7-3-4-8-18(17)25-20(26-22)14-29-9-11-30(12-10-29)21(31)13-19-15-5-1-2-6-16(15)23(32)28-27-19/h1-8H,9-14H2,(H,28,32)(H2,24,25,26)