1-(4-methylphenyl)-3-[4-oxidanylidene-1-(pyridin-3-ylmethyl)-3H-phthalazin-6-yl]urea

Systemtic Name: 1-(4-methylphenyl)-3-[4-oxidanylidene-1-(pyridin-3-ylmethyl)-3H-phthalazin-6-yl]urea Openeye Name: 1-[4-oxo-1-(3-pyridylmethyl)-3H-phthalazin-6-yl]-3-(p-tolyl)urea CAS Name: 1-(4-methylphenyl)-3-[4-oxo-1-(3-pyridinylmethyl)-3H-phthalazin-6-yl]urea IUPAC Name: 1-(4-methylphenyl)-3-[4-oxo-1-(pyridin-3-ylmethyl)-3H-phthalazin-6-yl]urea Traditional Name: 1-[4-keto-1-(3-pyridylmethyl)-3H-phthalazin-6-yl]-3-(p-tolyl)urea Formula: C22H19N5O2 MolecularWeight: 385.41856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)C(=NNC3=O)CC4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)C(=NNC3=O)CC4=CN=CC=C4

InChI

InChI=1S/C22H19N5O2/c1-14-4-6-16(7-5-14)24-22(29)25-17-8-9-18-19(12-17)21(28)27-26-20(18)11-15-3-2-10-23-13-15/h2-10,12-13H,11H2,1H3,(H,27,28)(H2,24,25,29)