(1-phenylpyrazol-4-yl)methyl 4-chloranyl-3-[(1-phenylpyrazol-4-yl)methylamino]benzoate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 4-chloranyl-3-[(1-phenylpyrazol-4-yl)methylamino]benzoate Openeye Name: (1-phenylpyrazol-4-yl)methyl 4-chloro-3-[(1-phenylpyrazol-4-yl)methylamino]benzoate CAS Name: 4-chloro-3-[(1-phenyl-4-pyrazolyl)methylamino]benzoic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 4-chloro-3-[(1-phenylpyrazol-4-yl)methylamino]benzoate Traditional Name: 4-chloro-3-[(1-phenylpyrazol-4-yl)methylamino]benzoic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C27H22ClN5O2 MolecularWeight: 483.94888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CNC3=C(C=CC(=C3)C(=O)OCC4=CN(N=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CNC3=C(C=CC(=C3)C(=O)OCC4=CN(N=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C27H22ClN5O2/c28-25-12-11-22(27(34)35-19-21-16-31-33(18-21)24-9-5-2-6-10-24)13-26(25)29-14-20-15-30-32(17-20)23-7-3-1-4-8-23/h1-13,15-18,29H,14,19H2