2-(4-aminophenyl)-5-heptadecyl-1-methyl-pyrazol-3-one

Systemtic Name: 2-(4-aminophenyl)-5-heptadecyl-1-methyl-pyrazol-3-one Openeye Name: 2-(4-aminophenyl)-5-heptadecyl-1-methyl-pyrazol-3-one CAS Name: 2-(4-aminophenyl)-5-heptadecyl-1-methyl-3-pyrazolone IUPAC Name: 2-(4-aminophenyl)-5-heptadecyl-1-methylpyrazol-3-one Traditional Name: 2-(4-aminophenyl)-5-heptadecyl-1-methyl-3-pyrazolin-3-one Formula: C27H45N3O MolecularWeight: 427.6657

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=CC(=O)N(N1C)C2=CC=C(C=C2)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=CC(=O)N(N1C)C2=CC=C(C=C2)N

InChI

InChI=1S/C27H45N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-23-27(31)30(29(26)2)25-21-19-24(28)20-22-25/h19-23H,3-18,28H2,1-2H3