tert-butyl 2-[4-[2-azanyl-4-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]piperazin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-[2-azanyl-4-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]piperazin-1-yl]ethanoate Openeye Name: tert-butyl 2-[4-[2-amino-4-(4-oxo-3H-phthalazin-1-yl)phenyl]piperazin-1-yl]acetate CAS Name: 2-[4-[2-amino-4-(4-oxo-3H-phthalazin-1-yl)phenyl]-1-piperazinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[2-amino-4-(4-oxo-3H-phthalazin-1-yl)phenyl]piperazin-1-yl]acetate Traditional Name: 2-[4-[2-amino-4-(4-keto-3H-phthalazin-1-yl)phenyl]piperazino]acetic acid tert-butyl ester Formula: C24H29N5O3 MolecularWeight: 435.51876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCN(CC1)C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)N

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCN(CC1)C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)N

InChI

InChI=1S/C24H29N5O3/c1-24(2,3)32-21(30)15-28-10-12-29(13-11-28)20-9-8-16(14-19(20)25)22-17-6-4-5-7-18(17)23(31)27-26-22/h4-9,14H,10-13,15,25H2,1-3H3,(H,27,31)