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

Systemtic Name: 4-[3-azanyl-4-[4-(3-methoxyphenyl)piperazin-1-yl]phenyl]-2H-phthalazin-1-one Openeye Name: 4-[3-amino-4-[4-(3-methoxyphenyl)piperazin-1-yl]phenyl]-2H-phthalazin-1-one CAS Name: 4-[3-amino-4-[4-(3-methoxyphenyl)-1-piperazinyl]phenyl]-2H-phthalazin-1-one IUPAC Name: 4-[3-amino-4-[4-(3-methoxyphenyl)piperazin-1-yl]phenyl]-2H-phthalazin-1-one Traditional Name: 4-[3-amino-4-[4-(3-methoxyphenyl)piperazino]phenyl]-2H-phthalazin-1-one Formula: C25H25N5O2 MolecularWeight: 427.4983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C3=C(C=C(C=C3)C4=NNC(=O)C5=CC=CC=C54)N

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C3=C(C=C(C=C3)C4=NNC(=O)C5=CC=CC=C54)N

InChI

InChI=1S/C25H25N5O2/c1-32-19-6-4-5-18(16-19)29-11-13-30(14-12-29)23-10-9-17(15-22(23)26)24-20-7-2-3-8-21(20)25(31)28-27-24/h2-10,15-16H,11-14,26H2,1H3,(H,28,31)