[2-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylamino]-2-oxidanylidene-ethyl] 4-butylbenzoate

Systemtic Name: [2-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylamino]-2-oxidanylidene-ethyl] 4-butylbenzoate Openeye Name: [2-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylamino]-2-oxo-ethyl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [2-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [2-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylamino]-2-keto-ethyl] ester Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OCC(=O)NCC2=C(N(N=C2C)CC3=CC=CC=C3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OCC(=O)NCC2=C(N(N=C2C)CC3=CC=CC=C3)C

InChI

InChI=1S/C26H31N3O3/c1-4-5-9-21-12-14-23(15-13-21)26(31)32-18-25(30)27-16-24-19(2)28-29(20(24)3)17-22-10-7-6-8-11-22/h6-8,10-15H,4-5,9,16-18H2,1-3H3,(H,27,30)