3-azanyl-5-[3-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methylamino]propyl]-1H-pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-5-[3-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methylamino]propyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[3-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[3-[(6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]propyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[3-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[3-[(6-ketocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]-1H-pyrazole-4-carbonitrile Formula: C14H15N5O MolecularWeight: 269.3018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CNCCCC2=C(C(=NN2)N)C#N)C(=O)C=C1

Isomeric SMILES

C1=CC(=CNCCCC2=C(C(=NN2)N)C#N)C(=O)C=C1

InChI

InChI=1S/C14H15N5O/c15-8-11-12(18-19-14(11)16)5-3-7-17-9-10-4-1-2-6-13(10)20/h1-2,4,6,9,17H,3,5,7H2,(H3,16,18,19)