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

Systemtic Name: 4-[3-azanyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]-2H-phthalazin-1-one Openeye Name: 4-[3-amino-4-[4-(1-methyl-4-piperidyl)piperazin-1-yl]phenyl]-2H-phthalazin-1-one CAS Name: 4-[3-amino-4-[4-(1-methyl-4-piperidinyl)-1-piperazinyl]phenyl]-2H-phthalazin-1-one IUPAC Name: 4-[3-amino-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]-2H-phthalazin-1-one Traditional Name: 4-[3-amino-4-[4-(1-methyl-4-piperidyl)piperazino]phenyl]-2H-phthalazin-1-one Formula: C24H30N6O MolecularWeight: 418.5346

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N2CCN(CC2)C3=C(C=C(C=C3)C4=NNC(=O)C5=CC=CC=C54)N

Isomeric SMILES

CN1CCC(CC1)N2CCN(CC2)C3=C(C=C(C=C3)C4=NNC(=O)C5=CC=CC=C54)N

InChI

InChI=1S/C24H30N6O/c1-28-10-8-18(9-11-28)29-12-14-30(15-13-29)22-7-6-17(16-21(22)25)23-19-4-2-3-5-20(19)24(31)27-26-23/h2-7,16,18H,8-15,25H2,1H3,(H,27,31)