1-(4-tert-butylphenyl)-3-[(3R)-1-isoquinolin-5-ylpyrrolidin-3-yl]urea hydrochloride

Systemtic Name: 1-(4-tert-butylphenyl)-3-[(3R)-1-isoquinolin-5-ylpyrrolidin-3-yl]urea hydrochloride Openeye Name: 1-(4-tert-butylphenyl)-3-[(3R)-1-(5-isoquinolyl)pyrrolidin-3-yl]urea hydrochloride CAS Name: 1-(4-tert-butylphenyl)-3-[(3R)-1-(5-isoquinolinyl)-3-pyrrolidinyl]urea hydrochloride IUPAC Name: 1-(4-tert-butylphenyl)-3-[(3R)-1-isoquinolin-5-ylpyrrolidin-3-yl]urea hydrochloride Traditional Name: 1-(4-tert-butylphenyl)-3-[(3R)-1-(5-isoquinolyl)pyrrolidin-3-yl]urea hydrochloride Formula: C24H29ClN4O MolecularWeight: 424.96626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)NC2CCN(C2)C3=CC=CC4=C3C=CN=C4.Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)N[C@@H]2CCN(C2)C3=CC=CC4=C3C=CN=C4.Cl

InChI

InChI=1S/C24H28N4O.ClH/c1-24(2,3)18-7-9-19(10-8-18)26-23(29)27-20-12-14-28(16-20)22-6-4-5-17-15-25-13-11-21(17)22;/h4-11,13,15,20H,12,14,16H2,1-3H3,(H2,26,27,29);1H/t20-;/m1./s1