1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-[(1-quinolin-6-ylcarbonylpiperidin-4-yl)methyl]phenyl]urea

Systemtic Name: 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-[(1-quinolin-6-ylcarbonylpiperidin-4-yl)methyl]phenyl]urea Openeye Name: 1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[4-[[1-(quinoline-6-carbonyl)-4-piperidyl]methyl]phenyl]urea CAS Name: 1-[5-tert-butyl-2-(4-methylphenyl)-3-pyrazolyl]-3-[4-[[1-[oxo(6-quinolinyl)methyl]-4-piperidinyl]methyl]phenyl]urea IUPAC Name: 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-[[1-(quinoline-6-carbonyl)piperidin-4-yl]methyl]phenyl]urea Traditional Name: 1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[4-[[1-(quinoline-6-carbonyl)-4-piperidyl]methyl]phenyl]urea Formula: C37H40N6O2 MolecularWeight: 600.7525

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C=C3)CC4CCN(CC4)C(=O)C5=CC6=C(C=C5)N=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C=C3)CC4CCN(CC4)C(=O)C5=CC6=C(C=C5)N=CC=C6

InChI

InChI=1S/C37H40N6O2/c1-25-7-14-31(15-8-25)43-34(24-33(41-43)37(2,3)4)40-36(45)39-30-12-9-26(10-13-30)22-27-17-20-42(21-18-27)35(44)29-11-16-32-28(23-29)6-5-19-38-32/h5-16,19,23-24,27H,17-18,20-22H2,1-4H3,(H2,39,40,45)