1-(4-butoxyphenyl)-3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]urea

Systemtic Name: 1-(4-butoxyphenyl)-3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]urea Openeye Name: 1-(4-butoxyphenyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]urea CAS Name: 1-(4-butoxyphenyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]urea IUPAC Name: 1-(4-butoxyphenyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]urea Traditional Name: 1-(4-butoxyphenyl)-3-[3-[(4-keto-3H-phthalazin-1-yl)amino]propyl]urea Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)NCCCNC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)NCCCNC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C22H27N5O3/c1-2-3-15-30-17-11-9-16(10-12-17)25-22(29)24-14-6-13-23-20-18-7-4-5-8-19(18)21(28)27-26-20/h4-5,7-12H,2-3,6,13-15H2,1H3,(H,23,26)(H,27,28)(H2,24,25,29)