1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-oxidanylidene-1-piperidin-4-yl-2-quinoxalin-2-yl-ethyl)phenyl]urea

Systemtic Name: 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-oxidanylidene-1-piperidin-4-yl-2-quinoxalin-2-yl-ethyl)phenyl]urea Openeye Name: 1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[4-[2-oxo-1-(4-piperidyl)-2-quinoxalin-2-yl-ethyl]phenyl]urea CAS Name: 1-[5-tert-butyl-2-(4-methylphenyl)-3-pyrazolyl]-3-[4-[2-oxo-1-(4-piperidinyl)-2-(2-quinoxalinyl)ethyl]phenyl]urea IUPAC Name: 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-oxo-1-piperidin-4-yl-2-quinoxalin-2-ylethyl)phenyl]urea Traditional Name: 1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[4-[2-keto-1-(4-piperidyl)-2-quinoxalin-2-yl-ethyl]phenyl]urea Formula: C36H39N7O2 MolecularWeight: 601.74056

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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)C(C4CCNCC4)C(=O)C5=NC6=CC=CC=C6N=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C=C3)C(C4CCNCC4)C(=O)C5=NC6=CC=CC=C6N=C5

InChI

InChI=1S/C36H39N7O2/c1-23-9-15-27(16-10-23)43-32(21-31(42-43)36(2,3)4)41-35(45)39-26-13-11-24(12-14-26)33(25-17-19-37-20-18-25)34(44)30-22-38-28-7-5-6-8-29(28)40-30/h5-16,21-22,25,33,37H,17-20H2,1-4H3,(H2,39,41,45)