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

Systemtic Name: [2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-[4-(azepan-1-yl)anilino]-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-[4-(1-azepanyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-[4-(azepan-1-yl)anilino]-2-keto-ethyl] ester Formula: C23H27N5O3 MolecularWeight: 421.49218

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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)N4CCCCCC4)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)N4CCCCCC4)N=N1

InChI

InChI=1S/C23H27N5O3/c1-2-28-21-12-7-17(15-20(21)25-26-28)23(30)31-16-22(29)24-18-8-10-19(11-9-18)27-13-5-3-4-6-14-27/h7-12,15H,2-6,13-14,16H2,1H3,(H,24,29)