ethyl 2-[3-azanyl-4-[(E)-2-phenylethenyl]phenyl]-5-methyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 2-[3-azanyl-4-[(E)-2-phenylethenyl]phenyl]-5-methyl-pyrazole-3-carboxylate Openeye Name: ethyl 2-[3-amino-4-[(E)-styryl]phenyl]-5-methyl-pyrazole-3-carboxylate CAS Name: 2-[3-amino-4-[(E)-2-phenylethenyl]phenyl]-5-methyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-amino-4-[(E)-2-phenylethenyl]phenyl]-5-methylpyrazole-3-carboxylate Traditional Name: 2-[3-amino-4-[(E)-styryl]phenyl]-5-methyl-pyrazole-3-carboxylic acid ethyl ester Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1C2=CC(=C(C=C2)C=CC3=CC=CC=C3)N)C

Isomeric SMILES

CCOC(=O)C1=CC(=NN1C2=CC(=C(C=C2)/C=C/C3=CC=CC=C3)N)C

InChI

InChI=1S/C21H21N3O2/c1-3-26-21(25)20-13-15(2)23-24(20)18-12-11-17(19(22)14-18)10-9-16-7-5-4-6-8-16/h4-14H,3,22H2,1-2H3/b10-9+