N-[[1-[[1-(2-azanyl-2-oxidanylidene-ethyl)indol-3-yl]methyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[1-[[1-(2-azanyl-2-oxidanylidene-ethyl)indol-3-yl]methyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[1-[[1-(2-amino-2-oxo-ethyl)indol-3-yl]methyl]-3-piperidyl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[1-[[1-(2-amino-2-oxoethyl)-3-indolyl]methyl]-3-piperidinyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[1-[[1-(2-amino-2-oxoethyl)indol-3-yl]methyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[1-[[1-(2-amino-2-keto-ethyl)indol-3-yl]methyl]-3-piperidyl]methyl]-piperonylamide Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CN(C3=CC=CC=C32)CC(=O)N)CNC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(CN(C1)CC2=CN(C3=CC=CC=C32)CC(=O)N)CNC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H28N4O4/c26-24(30)15-29-14-19(20-5-1-2-6-21(20)29)13-28-9-3-4-17(12-28)11-27-25(31)18-7-8-22-23(10-18)33-16-32-22/h1-2,5-8,10,14,17H,3-4,9,11-13,15-16H2,(H2,26,30)(H,27,31)