2-(6-chloranylbenzotriazol-1-yl)oxy-1-[4-(phenylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-(6-chloranylbenzotriazol-1-yl)oxy-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-(6-chlorobenzotriazol-1-yl)oxy-ethanone CAS Name: 2-[(6-chloro-1-benzotriazolyl)oxy]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-(6-chlorobenzotriazol-1-yl)oxyethanone Traditional Name: 1-(4-benzylpiperidino)-2-(6-chlorobenzotriazol-1-yl)oxy-ethanone Formula: C20H21ClN4O2 MolecularWeight: 384.85934

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CON3C4=C(C=CC(=C4)Cl)N=N3

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CON3C4=C(C=CC(=C4)Cl)N=N3

InChI

InChI=1S/C20H21ClN4O2/c21-17-6-7-18-19(13-17)25(23-22-18)27-14-20(26)24-10-8-16(9-11-24)12-15-4-2-1-3-5-15/h1-7,13,16H,8-12,14H2