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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCO)C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)N

Isomeric SMILES

C1CN(CCN1CCCO)C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)N

InChI

InChI=1S/C21H25N5O2/c22-18-14-15(20-16-4-1-2-5-17(16)21(28)24-23-20)6-7-19(18)26-11-9-25(10-12-26)8-3-13-27/h1-2,4-7,14,27H,3,8-13,22H2,(H,24,28)