[2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 2-pyrazol-1-ylbenzoate

Systemtic Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 2-pyrazol-1-ylbenzoate Openeye Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxo-ethyl] 2-pyrazol-1-ylbenzoate CAS Name: 2-(1-pyrazolyl)benzoic acid [2-[(3-cyano-4,5-dimethyl-1-phenyl-2-pyrrolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)amino]-2-oxoethyl] 2-pyrazol-1-ylbenzoate Traditional Name: 2-pyrazol-1-ylbenzoic acid [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-keto-ethyl] ester Formula: C25H21N5O3 MolecularWeight: 439.46594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=CC=CC=C2N3C=CC=N3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=CC=CC=C2N3C=CC=N3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H21N5O3/c1-17-18(2)30(19-9-4-3-5-10-19)24(21(17)15-26)28-23(31)16-33-25(32)20-11-6-7-12-22(20)29-14-8-13-27-29/h3-14H,16H2,1-2H3,(H,28,31)