3-azanyl-5-[5-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]pentyl]-1H-pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-5-[5-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]pentyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[5-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]pentyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[5-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]pentyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[5-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]pentyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[5-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]pentyl]-1H-pyrazole-4-carbonitrile Formula: C16H18BrN5O MolecularWeight: 376.25102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=CNCCCCCC2=C(C(=NN2)N)C#N)C=C1Br

Isomeric SMILES

C1=CC(=O)C(=CNCCCCCC2=C(C(=NN2)N)C#N)C=C1Br

InChI

InChI=1S/C16H18BrN5O/c17-12-5-6-15(23)11(8-12)10-20-7-3-1-2-4-14-13(9-18)16(19)22-21-14/h5-6,8,10,20H,1-4,7H2,(H3,19,21,22)