N-[(4-chlorophenyl)methyl]-1-(1-ethylbenzotriazol-5-yl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-1-(1-ethylbenzotriazol-5-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-1-(1-ethylbenzotriazole-5-carbonyl)piperidine-4-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-1-[(1-ethyl-5-benzotriazolyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-1-(1-ethylbenzotriazole-5-carbonyl)piperidine-4-carboxamide Traditional Name: N-(4-chlorobenzyl)-1-(1-ethylbenzotriazole-5-carbonyl)isonipecotamide Formula: C22H24ClN5O2 MolecularWeight: 425.91126

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)NCC4=CC=C(C=C4)Cl)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)NCC4=CC=C(C=C4)Cl)N=N1

InChI

InChI=1S/C22H24ClN5O2/c1-2-28-20-8-5-17(13-19(20)25-26-28)22(30)27-11-9-16(10-12-27)21(29)24-14-15-3-6-18(23)7-4-15/h3-8,13,16H,2,9-12,14H2,1H3,(H,24,29)