[2-[[4-[ethyl(propan-2-yl)amino]phenyl]amino]-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [2-[[4-[ethyl(propan-2-yl)amino]phenyl]amino]-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-[4-[ethyl(isopropyl)amino]anilino]-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-[4-[ethyl(isopropyl)amino]anilino]-2-keto-ethyl] ester Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)N(CC)C(C)C)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)N(CC)C(C)C)N=N1

InChI

InChI=1S/C22H27N5O3/c1-5-26(15(3)4)18-10-8-17(9-11-18)23-21(28)14-30-22(29)16-7-12-20-19(13-16)24-25-27(20)6-2/h7-13,15H,5-6,14H2,1-4H3,(H,23,28)