1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-oxidanylidene-1-piperidin-4-yl-2-quinolin-3-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-quinolin-3-yl-ethyl)phenyl]urea Openeye Name: 1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[4-[2-oxo-1-(4-piperidyl)-2-(3-quinolyl)ethyl]phenyl]urea CAS Name: 1-[5-tert-butyl-2-(4-methylphenyl)-3-pyrazolyl]-3-[4-[2-oxo-1-(4-piperidinyl)-2-(3-quinolinyl)ethyl]phenyl]urea IUPAC Name: 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-oxo-1-piperidin-4-yl-2-quinolin-3-ylethyl)phenyl]urea Traditional Name: 1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[4-[2-keto-1-(4-piperidyl)-2-(3-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=C(C=C3)C(C4CCNCC4)C(=O)C5=CC6=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=CC6=CC=CC=C6N=C5

InChI

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