[1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-[benzyl(methyl)amino]-1-methyl-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [1-[methyl-(phenylmethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-[benzyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OC(C)C(=O)N(C)CC3=CC=CC=C3)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OC(C)C(=O)N(C)CC3=CC=CC=C3)N=N1

InChI

InChI=1S/C20H22N4O3/c1-4-24-18-11-10-16(12-17(18)21-22-24)20(26)27-14(2)19(25)23(3)13-15-8-6-5-7-9-15/h5-12,14H,4,13H2,1-3H3