1-(2-chloroethyl)-5-[(5-oxidanylidene-1-propyl-2H-pyrrol-3-yl)amino]pyrazole-4-carbonitrile

Systemtic Name: 1-(2-chloroethyl)-5-[(5-oxidanylidene-1-propyl-2H-pyrrol-3-yl)amino]pyrazole-4-carbonitrile Openeye Name: 1-(2-chloroethyl)-5-[(5-oxo-1-propyl-2H-pyrrol-3-yl)amino]pyrazole-4-carbonitrile CAS Name: 1-(2-chloroethyl)-5-[(5-oxo-1-propyl-2H-pyrrol-3-yl)amino]-4-pyrazolecarbonitrile IUPAC Name: 1-(2-chloroethyl)-5-[(5-oxo-1-propyl-2H-pyrrol-3-yl)amino]pyrazole-4-carbonitrile Traditional Name: 1-(2-chloroethyl)-5-[(5-keto-1-propyl-3-pyrrolin-3-yl)amino]pyrazole-4-carbonitrile Formula: C13H16ClN5O MolecularWeight: 293.75204

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC(=CC1=O)NC2=C(C=NN2CCCl)C#N

Isomeric SMILES

CCCN1CC(=CC1=O)NC2=C(C=NN2CCCl)C#N

InChI

InChI=1S/C13H16ClN5O/c1-2-4-18-9-11(6-12(18)20)17-13-10(7-15)8-16-19(13)5-3-14/h6,8,17H,2-5,9H2,1H3