3-azanyl-1-[5-[(2-bromanylphenoxy)methyl]furan-2-yl]carbonyl-pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-1-[5-[(2-bromanylphenoxy)methyl]furan-2-yl]carbonyl-pyrazole-4-carbonitrile Openeye Name: 3-amino-1-[5-[(2-bromophenoxy)methyl]furan-2-carbonyl]pyrazole-4-carbonitrile CAS Name: 3-amino-1-[[5-[(2-bromophenoxy)methyl]-2-furanyl]-oxomethyl]-4-pyrazolecarbonitrile IUPAC Name: 3-amino-1-[5-[(2-bromophenoxy)methyl]furan-2-carbonyl]pyrazole-4-carbonitrile Traditional Name: 3-amino-1-[5-[(2-bromophenoxy)methyl]-2-furoyl]pyrazole-4-carbonitrile Formula: C16H11BrN4O3 MolecularWeight: 387.18754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCC2=CC=C(O2)C(=O)N3C=C(C(=N3)N)C#N)Br

Isomeric SMILES

C1=CC=C(C(=C1)OCC2=CC=C(O2)C(=O)N3C=C(C(=N3)N)C#N)Br

InChI

InChI=1S/C16H11BrN4O3/c17-12-3-1-2-4-13(12)23-9-11-5-6-14(24-11)16(22)21-8-10(7-18)15(19)20-21/h1-6,8H,9H2,(H2,19,20)