(1-ethylbenzotriazol-5-yl)-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone

Systemtic Name: (1-ethylbenzotriazol-5-yl)-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone Openeye Name: (1-ethylbenzotriazol-5-yl)-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone CAS Name: (1-ethyl-5-benzotriazolyl)-[(2R)-2-(4-methoxyphenyl)-1-azepanyl]methanone IUPAC Name: (1-ethylbenzotriazol-5-yl)-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone Traditional Name: (1-ethylbenzotriazol-5-yl)-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone Formula: C22H26N4O2 MolecularWeight: 378.46744

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N3CCCCCC3C4=CC=C(C=C4)OC)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N3CCCCC[C@@H]3C4=CC=C(C=C4)OC)N=N1

InChI

InChI=1S/C22H26N4O2/c1-3-26-21-13-10-17(15-19(21)23-24-26)22(27)25-14-6-4-5-7-20(25)16-8-11-18(28-2)12-9-16/h8-13,15,20H,3-7,14H2,1-2H3/t20-/m1/s1