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

Systemtic Name: ethyl 3-[(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylcarbamoylamino]benzoate Openeye Name: ethyl 3-[(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylcarbamoylamino]benzoate CAS Name: 3-[[[[3-methyl-1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylamino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylcarbamoylamino]benzoate Traditional Name: 3-[(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylcarbamoylamino]benzoic acid ethyl ester Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)NCC2=C(N(N=C2C)C3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)NCC2=C(N(N=C2C)C3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C25H25N5O3/c1-3-33-24(31)19-10-9-11-20(16-19)27-25(32)26-17-22-18(2)28-30(21-12-5-4-6-13-21)23(22)29-14-7-8-15-29/h4-16H,3,17H2,1-2H3,(H2,26,27,32)