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

Systemtic Name: [2-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylamino]-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylamino]-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic 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] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylamino]-2-keto-ethyl] ester Formula: C24H26N6O3 MolecularWeight: 446.50164

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NCC3=C(N(N=C3C)CC4=CC=CC=C4)C)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NCC3=C(N(N=C3C)CC4=CC=CC=C4)C)N=N1

InChI

InChI=1S/C24H26N6O3/c1-4-29-22-11-10-19(12-21(22)26-28-29)24(32)33-15-23(31)25-13-20-16(2)27-30(17(20)3)14-18-8-6-5-7-9-18/h5-12H,4,13-15H2,1-3H3,(H,25,31)