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

Systemtic Name: 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[3-(2-oxidanylidene-1-piperidin-4-yl-2-quinolin-4-yl-ethyl)phenyl]urea Openeye Name: 1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[3-[2-oxo-1-(4-piperidyl)-2-(4-quinolyl)ethyl]phenyl]urea CAS Name: 1-[5-tert-butyl-2-(4-methylphenyl)-3-pyrazolyl]-3-[3-[2-oxo-1-(4-piperidinyl)-2-(4-quinolinyl)ethyl]phenyl]urea IUPAC Name: 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[3-(2-oxo-1-piperidin-4-yl-2-quinolin-4-ylethyl)phenyl]urea Traditional Name: 1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[3-[2-keto-1-(4-piperidyl)-2-(4-quinolyl)ethyl]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=CC(=C3)C(C4CCNCC4)C(=O)C5=CC=NC6=CC=CC=C56

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=CC(=C3)C(C4CCNCC4)C(=O)C5=CC=NC6=CC=CC=C56

InChI

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