N-[(E)-2-(2-bromanyl-4-methoxy-5-phenylmethoxy-phenyl)ethylideneamino]pyridin-4-amine hydrochloride

Systemtic Name: N-[(E)-2-(2-bromanyl-4-methoxy-5-phenylmethoxy-phenyl)ethylideneamino]pyridin-4-amine hydrochloride Openeye Name: N-[(E)-2-(5-benzyloxy-2-bromo-4-methoxy-phenyl)ethylideneamino]pyridin-4-amine hydrochloride CAS Name: N-[(E)-2-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)ethylideneamino]-4-pyridinamine hydrochloride IUPAC Name: N-[(E)-2-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)ethylideneamino]pyridin-4-amine hydrochloride Traditional Name: [(E)-2-(5-benzoxy-2-bromo-4-methoxy-phenyl)ethylideneamino]-(4-pyridyl)amine hydrochloride Formula: C21H21BrClN3O2 MolecularWeight: 462.76734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)Br)CC=NNC2=CC=NC=C2)OCC3=CC=CC=C3.Cl

Isomeric SMILES

COC1=C(C=C(C(=C1)Br)C/C=N/NC2=CC=NC=C2)OCC3=CC=CC=C3.Cl

InChI

InChI=1S/C21H20BrN3O2.ClH/c1-26-20-14-19(22)17(7-12-24-25-18-8-10-23-11-9-18)13-21(20)27-15-16-5-3-2-4-6-16;/h2-6,8-14H,7,15H2,1H3,(H,23,25);1H/b24-12+;