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

Systemtic Name: 4-[3-azanyl-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-2H-phthalazin-1-one Openeye Name: 4-[3-amino-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-2H-phthalazin-1-one CAS Name: 4-[3-amino-4-[4-(2-methoxyethyl)-1-piperazinyl]phenyl]-2H-phthalazin-1-one IUPAC Name: 4-[3-amino-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-2H-phthalazin-1-one Traditional Name: 4-[3-amino-4-[4-(2-methoxyethyl)piperazino]phenyl]-2H-phthalazin-1-one Formula: C21H25N5O2 MolecularWeight: 379.4555

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1CCN(CC1)C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)N

Isomeric SMILES

COCCN1CCN(CC1)C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)N

InChI

InChI=1S/C21H25N5O2/c1-28-13-12-25-8-10-26(11-9-25)19-7-6-15(14-18(19)22)20-16-4-2-3-5-17(16)21(27)24-23-20/h2-7,14H,8-13,22H2,1H3,(H,24,27)