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

Systemtic Name: 4-[3-azanyl-4-[4-(2-dimethylaminoethyl)piperazin-1-yl]phenyl]-2H-phthalazin-1-one Openeye Name: 4-[3-amino-4-[4-(2-dimethylaminoethyl)piperazin-1-yl]phenyl]-2H-phthalazin-1-one CAS Name: 4-[3-amino-4-[4-(2-dimethylaminoethyl)-1-piperazinyl]phenyl]-2H-phthalazin-1-one IUPAC Name: 4-[3-amino-4-[4-(2-dimethylaminoethyl)piperazin-1-yl]phenyl]-2H-phthalazin-1-one Traditional Name: 4-[3-amino-4-[4-(2-dimethylaminoethyl)piperazino]phenyl]-2H-phthalazin-1-one Formula: C22H28N6O MolecularWeight: 392.49732

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1CCN(CC1)C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)N

Isomeric SMILES

CN(C)CCN1CCN(CC1)C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)N

InChI

InChI=1S/C22H28N6O/c1-26(2)9-10-27-11-13-28(14-12-27)20-8-7-16(15-19(20)23)21-17-5-3-4-6-18(17)22(29)25-24-21/h3-8,15H,9-14,23H2,1-2H3,(H,25,29)