1-[[4-(azocan-1-yl)phenyl]methyl]-3-isoquinolin-5-yl-urea hydrochloride

Systemtic Name: 1-[[4-(azocan-1-yl)phenyl]methyl]-3-isoquinolin-5-yl-urea hydrochloride Openeye Name: 1-[[4-(azocan-1-yl)phenyl]methyl]-3-(5-isoquinolyl)urea hydrochloride CAS Name: 1-[[4-(1-azocanyl)phenyl]methyl]-3-(5-isoquinolinyl)urea hydrochloride IUPAC Name: 1-[[4-(azocan-1-yl)phenyl]methyl]-3-isoquinolin-5-ylurea hydrochloride Traditional Name: 1-[4-(azocan-1-yl)benzyl]-3-(5-isoquinolyl)urea hydrochloride Formula: C24H29ClN4O MolecularWeight: 424.96626

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C2=CC=C(C=C2)CNC(=O)NC3=CC=CC4=C3C=CN=C4.Cl

Isomeric SMILES

C1CCCN(CCC1)C2=CC=C(C=C2)CNC(=O)NC3=CC=CC4=C3C=CN=C4.Cl

InChI

InChI=1S/C24H28N4O.ClH/c29-24(27-23-8-6-7-20-18-25-14-13-22(20)23)26-17-19-9-11-21(12-10-19)28-15-4-2-1-3-5-16-28;/h6-14,18H,1-5,15-17H2,(H2,26,27,29);1H