1-[2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylamino]ethyl]-N-phenethyl-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylamino]ethyl]-N-phenethyl-1,2,3-triazole-4-carboxamide Openeye Name: 1-[2-[(6-chloro-1,3-benzodioxol-5-yl)methylamino]ethyl]-N-phenethyl-triazole-4-carboxamide CAS Name: 1-[2-[(6-chloro-1,3-benzodioxol-5-yl)methylamino]ethyl]-N-phenethyl-4-triazolecarboxamide IUPAC Name: 1-[2-[(6-chloro-1,3-benzodioxol-5-yl)methylamino]ethyl]-N-phenethyltriazole-4-carboxamide Traditional Name: 1-[2-[(6-chloro-1,3-benzodioxol-5-yl)methylamino]ethyl]-N-phenethyl-triazole-4-carboxamide Formula: C21H22ClN5O3 MolecularWeight: 427.88408

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CNCCN3C=C(N=N3)C(=O)NCCC4=CC=CC=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CNCCN3C=C(N=N3)C(=O)NCCC4=CC=CC=C4)Cl

InChI

InChI=1S/C21H22ClN5O3/c22-17-11-20-19(29-14-30-20)10-16(17)12-23-8-9-27-13-18(25-26-27)21(28)24-7-6-15-4-2-1-3-5-15/h1-5,10-11,13,23H,6-9,12,14H2,(H,24,28)