4-[3-azanyl-4-[4-(oxolan-2-ylmethyl)piperazin-1-yl]phenyl]-2H-phthalazin-1-one

Systemtic Name: 4-[3-azanyl-4-[4-(oxolan-2-ylmethyl)piperazin-1-yl]phenyl]-2H-phthalazin-1-one Openeye Name: 4-[3-amino-4-[4-(tetrahydrofuran-2-ylmethyl)piperazin-1-yl]phenyl]-2H-phthalazin-1-one CAS Name: 4-[3-amino-4-[4-(2-oxolanylmethyl)-1-piperazinyl]phenyl]-2H-phthalazin-1-one IUPAC Name: 4-[3-amino-4-[4-(oxolan-2-ylmethyl)piperazin-1-yl]phenyl]-2H-phthalazin-1-one Traditional Name: 4-[3-amino-4-[4-(tetrahydrofurfuryl)piperazino]phenyl]-2H-phthalazin-1-one Formula: C23H27N5O2 MolecularWeight: 405.49278

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2CCN(CC2)C3=C(C=C(C=C3)C4=NNC(=O)C5=CC=CC=C54)N

Isomeric SMILES

C1CC(OC1)CN2CCN(CC2)C3=C(C=C(C=C3)C4=NNC(=O)C5=CC=CC=C54)N

InChI

InChI=1S/C23H27N5O2/c24-20-14-16(22-18-5-1-2-6-19(18)23(29)26-25-22)7-8-21(20)28-11-9-27(10-12-28)15-17-4-3-13-30-17/h1-2,5-8,14,17H,3-4,9-13,15,24H2,(H,26,29)