methyl 3-phenyl-1-(phenylmethyl)-5-[(E)-2-[(phenylmethyl)amino]ethenyl]pyrazole-4-carboxylate

Systemtic Name: methyl 3-phenyl-1-(phenylmethyl)-5-[(E)-2-[(phenylmethyl)amino]ethenyl]pyrazole-4-carboxylate Openeye Name: methyl 1-benzyl-5-[(E)-2-(benzylamino)vinyl]-3-phenyl-pyrazole-4-carboxylate CAS Name: 3-phenyl-1-(phenylmethyl)-5-[(E)-2-[(phenylmethyl)amino]ethenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-5-[(E)-2-(benzylamino)ethenyl]-3-phenylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-[(E)-2-(benzylamino)vinyl]-3-phenyl-pyrazole-4-carboxylic acid methyl ester Formula: C27H25N3O2 MolecularWeight: 423.5063

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1C2=CC=CC=C2)CC3=CC=CC=C3)C=CNCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(N(N=C1C2=CC=CC=C2)CC3=CC=CC=C3)/C=C/NCC4=CC=CC=C4

InChI

InChI=1S/C27H25N3O2/c1-32-27(31)25-24(17-18-28-19-21-11-5-2-6-12-21)30(20-22-13-7-3-8-14-22)29-26(25)23-15-9-4-10-16-23/h2-18,28H,19-20H2,1H3/b18-17+