methyl 4-chloranyl-2-[(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylcarbamoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-2-[(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylcarbamoylamino]benzoate Openeye Name: methyl 4-chloro-2-[(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylcarbamoylamino]benzoate CAS Name: 4-chloro-2-[[[[3-methyl-1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylamino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-[(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylcarbamoylamino]benzoate Traditional Name: 4-chloro-2-[(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylcarbamoylamino]benzoic acid methyl ester Formula: C24H22ClN5O3 MolecularWeight: 463.91618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CNC(=O)NC2=C(C=CC(=C2)Cl)C(=O)OC)N3C=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1CNC(=O)NC2=C(C=CC(=C2)Cl)C(=O)OC)N3C=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H22ClN5O3/c1-16-20(15-26-24(32)27-21-14-17(25)10-11-19(21)23(31)33-2)22(29-12-6-7-13-29)30(28-16)18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H2,26,27,32)