[1-oxidanylidene-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [1-oxidanylidene-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [1-methyl-2-oxo-2-(tetralin-1-ylamino)ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-keto-1-methyl-2-(tetralin-1-ylamino)ethyl] ester Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OC(C)C(=O)NC3CCCC4=CC=CC=C34)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OC(C)C(=O)NC3CCCC4=CC=CC=C34)N=N1

InChI

InChI=1S/C22H24N4O3/c1-3-26-20-12-11-16(13-19(20)24-25-26)22(28)29-14(2)21(27)23-18-10-6-8-15-7-4-5-9-17(15)18/h4-5,7,9,11-14,18H,3,6,8,10H2,1-2H3,(H,23,27)