4-[3-azanyl-4-(4-tert-butylpiperazin-1-yl)phenyl]-2H-phthalazin-1-one

Systemtic Name: 4-[3-azanyl-4-(4-tert-butylpiperazin-1-yl)phenyl]-2H-phthalazin-1-one Openeye Name: 4-[3-amino-4-(4-tert-butylpiperazin-1-yl)phenyl]-2H-phthalazin-1-one CAS Name: 4-[3-amino-4-(4-tert-butyl-1-piperazinyl)phenyl]-2H-phthalazin-1-one IUPAC Name: 4-[3-amino-4-(4-tert-butylpiperazin-1-yl)phenyl]-2H-phthalazin-1-one Traditional Name: 4-[3-amino-4-(4-tert-butylpiperazino)phenyl]-2H-phthalazin-1-one Formula: C22H27N5O MolecularWeight: 377.48268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CCN(CC1)C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)N

Isomeric SMILES

CC(C)(C)N1CCN(CC1)C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)N

InChI

InChI=1S/C22H27N5O/c1-22(2,3)27-12-10-26(11-13-27)19-9-8-15(14-18(19)23)20-16-6-4-5-7-17(16)21(28)25-24-20/h4-9,14H,10-13,23H2,1-3H3,(H,25,28)