1-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-3-[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]naphthalen-1-yl]urea

Systemtic Name: 1-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-3-[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]naphthalen-1-yl]urea Openeye Name: 1-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-3-[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-naphthyl]urea CAS Name: 1-(5-tert-butyl-2-phenyl-3-pyrazolyl)-3-[4-[4-[(4-methyl-1-piperazinyl)methyl]phenyl]-1-naphthalenyl]urea IUPAC Name: 1-(5-tert-butyl-2-phenylpyrazol-3-yl)-3-[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]naphthalen-1-yl]urea Traditional Name: 1-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-3-[4-[4-[(4-methylpiperazino)methyl]phenyl]-1-naphthyl]urea Formula: C36H40N6O MolecularWeight: 572.7424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=C(C3=CC=CC=C32)C4=CC=C(C=C4)CN5CCN(CC5)C)C6=CC=CC=C6

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=C(C3=CC=CC=C32)C4=CC=C(C=C4)CN5CCN(CC5)C)C6=CC=CC=C6

InChI

InChI=1S/C36H40N6O/c1-36(2,3)33-24-34(42(39-33)28-10-6-5-7-11-28)38-35(43)37-32-19-18-29(30-12-8-9-13-31(30)32)27-16-14-26(15-17-27)25-41-22-20-40(4)21-23-41/h5-19,24H,20-23,25H2,1-4H3,(H2,37,38,43)