1-[4-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)phenyl]-3-[2-methyl-6-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]phenyl]urea

Systemtic Name: 1-[4-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)phenyl]-3-[2-methyl-6-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]phenyl]urea Openeye Name: 1-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-3-[2-methyl-6-[3-[4-(2-pyridyl)piperazin-1-yl]propoxy]phenyl]urea CAS Name: 1-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-3-[2-methyl-6-[3-[4-(2-pyridinyl)-1-piperazinyl]propoxy]phenyl]urea IUPAC Name: 1-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-3-[2-methyl-6-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]phenyl]urea Traditional Name: 1-[4-(5-keto-3-methyl-2-pyrazolin-1-yl)phenyl]-3-[2-methyl-6-[3-[4-(2-pyridyl)piperazino]propoxy]phenyl]urea Formula: C30H35N7O3 MolecularWeight: 541.644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C2=CC=C(C=C2)NC(=O)NC3=C(C=CC=C3OCCCN4CCN(CC4)C5=CC=CC=N5)C

Isomeric SMILES

CC1=NN(C(=O)C1)C2=CC=C(C=C2)NC(=O)NC3=C(C=CC=C3OCCCN4CCN(CC4)C5=CC=CC=N5)C

InChI

InChI=1S/C30H35N7O3/c1-22-7-5-8-26(40-20-6-15-35-16-18-36(19-17-35)27-9-3-4-14-31-27)29(22)33-30(39)32-24-10-12-25(13-11-24)37-28(38)21-23(2)34-37/h3-5,7-14H,6,15-21H2,1-2H3,(H2,32,33,39)