1-ethyl-3-[2-(4-methylpiperazin-1-yl)-5-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]urea

Systemtic Name: 1-ethyl-3-[2-(4-methylpiperazin-1-yl)-5-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]urea Openeye Name: 1-ethyl-3-[2-(4-methylpiperazin-1-yl)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]urea CAS Name: 1-ethyl-3-[2-(4-methyl-1-piperazinyl)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]urea IUPAC Name: 1-ethyl-3-[2-(4-methylpiperazin-1-yl)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]urea Traditional Name: 1-ethyl-3-[5-(4-keto-3H-phthalazin-1-yl)-2-(4-methylpiperazino)phenyl]urea Formula: C22H26N6O2 MolecularWeight: 406.48084

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=C(C=CC(=C1)C2=NNC(=O)C3=CC=CC=C32)N4CCN(CC4)C

Isomeric SMILES

CCNC(=O)NC1=C(C=CC(=C1)C2=NNC(=O)C3=CC=CC=C32)N4CCN(CC4)C

InChI

InChI=1S/C22H26N6O2/c1-3-23-22(30)24-18-14-15(8-9-19(18)28-12-10-27(2)11-13-28)20-16-6-4-5-7-17(16)21(29)26-25-20/h4-9,14H,3,10-13H2,1-2H3,(H,26,29)(H2,23,24,30)