1-[1-[(3-ethoxy-4-methoxy-phenyl)methyl]piperidin-3-yl]-N-(3-oxidanylpropyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[1-[(3-ethoxy-4-methoxy-phenyl)methyl]piperidin-3-yl]-N-(3-oxidanylpropyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-[1-[(3-ethoxy-4-methoxy-phenyl)methyl]-3-piperidyl]-N-(3-hydroxypropyl)triazole-4-carboxamide CAS Name: 1-[1-[(3-ethoxy-4-methoxyphenyl)methyl]-3-piperidinyl]-N-(3-hydroxypropyl)-4-triazolecarboxamide IUPAC Name: 1-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide Traditional Name: 1-[1-(3-ethoxy-4-methoxy-benzyl)-3-piperidyl]-N-(3-hydroxypropyl)triazole-4-carboxamide Formula: C21H31N5O4 MolecularWeight: 417.50194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CCCC(C2)N3C=C(N=N3)C(=O)NCCCO)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CCCC(C2)N3C=C(N=N3)C(=O)NCCCO)OC

InChI

InChI=1S/C21H31N5O4/c1-3-30-20-12-16(7-8-19(20)29-2)13-25-10-4-6-17(14-25)26-15-18(23-24-26)21(28)22-9-5-11-27/h7-8,12,15,17,27H,3-6,9-11,13-14H2,1-2H3,(H,22,28)