3-(3-tert-butyl-5-methoxy-2-oxidanyl-phenyl)-1-(piperidin-4-ylmethyl)-1-(pyridin-3-ylmethyl)urea dihydrochloride

Systemtic Name: 3-(3-tert-butyl-5-methoxy-2-oxidanyl-phenyl)-1-(piperidin-4-ylmethyl)-1-(pyridin-3-ylmethyl)urea dihydrochloride Openeye Name: 3-(3-tert-butyl-2-hydroxy-5-methoxy-phenyl)-1-(4-piperidylmethyl)-1-(3-pyridylmethyl)urea dihydrochloride CAS Name: 3-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-1-(4-piperidinylmethyl)-1-(3-pyridinylmethyl)urea dihydrochloride IUPAC Name: 3-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-1-(piperidin-4-ylmethyl)-1-(pyridin-3-ylmethyl)urea dihydrochloride Traditional Name: 3-(3-tert-butyl-2-hydroxy-5-methoxy-phenyl)-1-(4-piperidylmethyl)-1-(3-pyridylmethyl)urea dihydrochloride Formula: C24H36Cl2N4O3 MolecularWeight: 499.47364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)NC(=O)N(CC2CCNCC2)CC3=CN=CC=C3)OC.Cl.Cl

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)NC(=O)N(CC2CCNCC2)CC3=CN=CC=C3)OC.Cl.Cl

InChI

InChI=1S/C24H34N4O3.2ClH/c1-24(2,3)20-12-19(31-4)13-21(22(20)29)27-23(30)28(15-17-7-10-25-11-8-17)16-18-6-5-9-26-14-18;;/h5-6,9,12-14,17,25,29H,7-8,10-11,15-16H2,1-4H3,(H,27,30);2*1H