N-[1-(phenylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[1-(phenylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-benzodioxole-5-carboxamide CAS Name: N-[1-(phenylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-piperonylamide Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)N(N=C2)CC3=CC=CC=C3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(C2=C(C1)N(N=C2)CC3=CC=CC=C3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H21N3O3/c26-22(16-9-10-20-21(11-16)28-14-27-20)24-18-7-4-8-19-17(18)12-23-25(19)13-15-5-2-1-3-6-15/h1-3,5-6,9-12,18H,4,7-8,13-14H2,(H,24,26)