3-(1,3-benzodioxol-5-ylmethyl)-N-[3-(benzotriazol-1-yl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-[3-(benzotriazol-1-yl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-[3-(benzotriazol-1-yl)propyl]-4,5-dihydroisoxazole-5-carboxamide CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-[3-(1-benzotriazolyl)propyl]-4,5-dihydroisoxazole-5-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-[3-(benzotriazol-1-yl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide Traditional Name: N-[3-(benzotriazol-1-yl)propyl]-3-piperonyl-2-isoxazoline-5-carboxamide Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1CC2=CC3=C(C=C2)OCO3)C(=O)NCCCN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1C(ON=C1CC2=CC3=C(C=C2)OCO3)C(=O)NCCCN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H21N5O4/c27-21(22-8-3-9-26-17-5-2-1-4-16(17)23-25-26)20-12-15(24-30-20)10-14-6-7-18-19(11-14)29-13-28-18/h1-2,4-7,11,20H,3,8-10,12-13H2,(H,22,27)