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

Systemtic Name: 4-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]carbonyl-2-propan-2-yl-phthalazin-1-one Openeye Name: 4-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]-2-isopropyl-phthalazin-1-one CAS Name: 4-[[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-oxomethyl]-2-propan-2-yl-1-phthalazinone IUPAC Name: 4-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one Traditional Name: 4-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]-2-isopropyl-phthalazin-1-one Formula: C25H27N7O2 MolecularWeight: 457.52758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5C(=N4)N

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5C(=N4)N

InChI

InChI=1S/C25H27N7O2/c1-16(2)32-24(33)18-8-4-3-7-17(18)22(29-32)25(34)31-13-11-30(12-14-31)15-21-27-20-10-6-5-9-19(20)23(26)28-21/h3-10,16H,11-15H2,1-2H3,(H2,26,27,28)