1-[1-[(2-azanylpyridin-4-yl)methyl]indol-4-yl]-3-(5-bromanyl-2-methoxy-phenyl)urea hydrochloride

Systemtic Name: 1-[1-[(2-azanylpyridin-4-yl)methyl]indol-4-yl]-3-(5-bromanyl-2-methoxy-phenyl)urea hydrochloride Openeye Name: 1-[1-[(2-amino-4-pyridyl)methyl]indol-4-yl]-3-(5-bromo-2-methoxy-phenyl)urea hydrochloride CAS Name: 1-[1-[(2-amino-4-pyridinyl)methyl]-4-indolyl]-3-(5-bromo-2-methoxyphenyl)urea hydrochloride IUPAC Name: 1-[1-[(2-aminopyridin-4-yl)methyl]indol-4-yl]-3-(5-bromo-2-methoxyphenyl)urea hydrochloride Traditional Name: 1-[1-[(2-amino-4-pyridyl)methyl]indol-4-yl]-3-(5-bromo-2-methoxy-phenyl)urea hydrochloride Formula: C22H21BrClN5O2 MolecularWeight: 502.79144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)NC(=O)NC2=CC=CC3=C2C=CN3CC4=CC(=NC=C4)N.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)Br)NC(=O)NC2=CC=CC3=C2C=CN3CC4=CC(=NC=C4)N.Cl

InChI

InChI=1S/C22H20BrN5O2.ClH/c1-30-20-6-5-15(23)12-18(20)27-22(29)26-17-3-2-4-19-16(17)8-10-28(19)13-14-7-9-25-21(24)11-14;/h2-12H,13H2,1H3,(H2,24,25)(H2,26,27,29);1H