5-[(1-butyl-5-oxidanylidene-2H-pyrrol-3-yl)amino]-1-pent-3-ynyl-pyrazole-4-carbonitrile

Systemtic Name: 5-[(1-butyl-5-oxidanylidene-2H-pyrrol-3-yl)amino]-1-pent-3-ynyl-pyrazole-4-carbonitrile Openeye Name: 5-[(1-butyl-5-oxo-2H-pyrrol-3-yl)amino]-1-pent-3-ynyl-pyrazole-4-carbonitrile CAS Name: 5-[(1-butyl-5-oxo-2H-pyrrol-3-yl)amino]-1-pent-3-ynyl-4-pyrazolecarbonitrile IUPAC Name: 5-[(1-butyl-5-oxo-2H-pyrrol-3-yl)amino]-1-pent-3-ynylpyrazole-4-carbonitrile Traditional Name: 5-[(1-butyl-5-keto-3-pyrrolin-3-yl)amino]-1-pent-3-ynyl-pyrazole-4-carbonitrile Formula: C17H21N5O MolecularWeight: 311.38154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC(=CC1=O)NC2=C(C=NN2CCC#CC)C#N

Isomeric SMILES

CCCCN1CC(=CC1=O)NC2=C(C=NN2CCC#CC)C#N

InChI

InChI=1S/C17H21N5O/c1-3-5-7-9-22-17(14(11-18)12-19-22)20-15-10-16(23)21(13-15)8-6-4-2/h10,12,20H,4,6-9,13H2,1-2H3