1-tert-butyl-3-(4-chlorophenyl)-5-[(E)-N-ethoxy-C-methyl-carbonimidoyl]pyrazole-4-carbonitrile

Systemtic Name: 1-tert-butyl-3-(4-chlorophenyl)-5-[(E)-N-ethoxy-C-methyl-carbonimidoyl]pyrazole-4-carbonitrile Openeye Name: 1-tert-butyl-3-(4-chlorophenyl)-5-[(E)-N-ethoxy-C-methyl-carbonimidoyl]pyrazole-4-carbonitrile CAS Name: 1-tert-butyl-3-(4-chlorophenyl)-5-[(1E)-1-ethoxyiminoethyl]-4-pyrazolecarbonitrile IUPAC Name: 1-tert-butyl-3-(4-chlorophenyl)-5-[(E)-N-ethoxy-C-methylcarbonimidoyl]pyrazole-4-carbonitrile Traditional Name: 1-tert-butyl-3-(4-chlorophenyl)-5-[(E)-N-ethoxy-C-methyl-carbonimidoyl]pyrazole-4-carbonitrile Formula: C18H21ClN4O MolecularWeight: 344.83854

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Descriptors Computed from Structure

Canonical SMILES:

CCON=C(C)C1=C(C(=NN1C(C)(C)C)C2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

CCO/N=C(\C)/C1=C(C(=NN1C(C)(C)C)C2=CC=C(C=C2)Cl)C#N

InChI

InChI=1S/C18H21ClN4O/c1-6-24-22-12(2)17-15(11-20)16(21-23(17)18(3,4)5)13-7-9-14(19)10-8-13/h7-10H,6H2,1-5H3/b22-12+