methyl 2-[(4Z)-4-[1-(3-methylbutylamino)propylidene]-5-oxidanylidene-1-phenyl-pyrazol-3-yl]ethanoate

Systemtic Name: methyl 2-[(4Z)-4-[1-(3-methylbutylamino)propylidene]-5-oxidanylidene-1-phenyl-pyrazol-3-yl]ethanoate Openeye Name: methyl 2-[(4Z)-4-[1-(isopentylamino)propylidene]-5-oxo-1-phenyl-pyrazol-3-yl]acetate CAS Name: 2-[(4Z)-4-[1-(3-methylbutylamino)propylidene]-5-oxo-1-phenyl-3-pyrazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[(4Z)-4-[1-(3-methylbutylamino)propylidene]-5-oxo-1-phenylpyrazol-3-yl]acetate Traditional Name: 2-[(4Z)-4-[1-(isoamylamino)propylidene]-5-keto-1-phenyl-2-pyrazolin-3-yl]acetic acid methyl ester Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=NN(C1=O)C2=CC=CC=C2)CC(=O)OC)NCCC(C)C

Isomeric SMILES

CC/C(=C/1\C(=NN(C1=O)C2=CC=CC=C2)CC(=O)OC)/NCCC(C)C

InChI

InChI=1S/C20H27N3O3/c1-5-16(21-12-11-14(2)3)19-17(13-18(24)26-4)22-23(20(19)25)15-9-7-6-8-10-15/h6-10,14,21H,5,11-13H2,1-4H3/b19-16-