(2E)-7-bromanyl-2-[4-[hydroxymethyl(phenethyl)amino]-2-oxidanylidene-pyridin-3-ylidene]-1,3-dihydrobenzimidazole-5-carbonitrile

Systemtic Name: (2E)-7-bromanyl-2-[4-[hydroxymethyl(phenethyl)amino]-2-oxidanylidene-pyridin-3-ylidene]-1,3-dihydrobenzimidazole-5-carbonitrile Openeye Name: (2E)-7-bromo-2-[4-[hydroxymethyl(phenethyl)amino]-2-oxo-3-pyridylidene]-1,3-dihydrobenzimidazole-5-carbonitrile CAS Name: (2E)-7-bromo-2-[4-[hydroxymethyl(phenethyl)amino]-2-oxo-3-pyridinylidene]-1,3-dihydrobenzimidazole-5-carbonitrile IUPAC Name: (2E)-7-bromo-2-[4-[hydroxymethyl(phenethyl)amino]-2-oxopyridin-3-ylidene]-1,3-dihydrobenzimidazole-5-carbonitrile Traditional Name: (2E)-7-bromo-2-[2-keto-4-[methylol(phenethyl)amino]-3-pyridylidene]-1,3-dihydrobenzimidazole-5-carbonitrile Formula: C22H18BrN5O2 MolecularWeight: 464.31462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CO)C2=CC=NC(=O)C2=C3NC4=C(N3)C(=CC(=C4)C#N)Br

Isomeric SMILES

C1=CC=C(C=C1)CCN(CO)C\2=CC=NC(=O)/C2=C/3\NC4=C(N3)C(=CC(=C4)C#N)Br

InChI

InChI=1S/C22H18BrN5O2/c23-16-10-15(12-24)11-17-20(16)27-21(26-17)19-18(6-8-25-22(19)30)28(13-29)9-7-14-4-2-1-3-5-14/h1-6,8,10-11,26-27,29H,7,9,13H2/b21-19+