3-[(2-hexadecoxyphenyl)methylamino]-5-methyl-1H-pyrazole-4-carbonitrile

Systemtic Name: 3-[(2-hexadecoxyphenyl)methylamino]-5-methyl-1H-pyrazole-4-carbonitrile Openeye Name: 3-[(2-hexadecoxyphenyl)methylamino]-5-methyl-1H-pyrazole-4-carbonitrile CAS Name: 3-[(2-hexadecoxyphenyl)methylamino]-5-methyl-1H-pyrazole-4-carbonitrile IUPAC Name: 3-[(2-hexadecoxyphenyl)methylamino]-5-methyl-1H-pyrazole-4-carbonitrile Traditional Name: 3-[(2-cetyloxybenzyl)amino]-5-methyl-1H-pyrazole-4-carbonitrile Formula: C28H44N4O MolecularWeight: 452.67516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=CC=C1CNC2=NNC(=C2C#N)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=CC=C1CNC2=NNC(=C2C#N)C

InChI

InChI=1S/C28H44N4O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-33-27-20-17-16-19-25(27)23-30-28-26(22-29)24(2)31-32-28/h16-17,19-20H,3-15,18,21,23H2,1-2H3,(H2,30,31,32)