1-(1-ethylbenzotriazol-5-yl)carbonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide

Systemtic Name: 1-(1-ethylbenzotriazol-5-yl)carbonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide Openeye Name: 1-(1-ethylbenzotriazole-5-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide CAS Name: 1-[(1-ethyl-5-benzotriazolyl)-oxomethyl]-N-(4-methoxyphenyl)-4-piperidinecarboxamide IUPAC Name: 1-(1-ethylbenzotriazole-5-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide Traditional Name: 1-(1-ethylbenzotriazole-5-carbonyl)-N-(4-methoxyphenyl)isonipecotamide Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)OC)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)OC)N=N1

InChI

InChI=1S/C22H25N5O3/c1-3-27-20-9-4-16(14-19(20)24-25-27)22(29)26-12-10-15(11-13-26)21(28)23-17-5-7-18(30-2)8-6-17/h4-9,14-15H,3,10-13H2,1-2H3,(H,23,28)