N-[[1-[(6-chloranyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperidin-4-yl]methyl]-6-pyrrol-1-yl-pyridine-3-carboxamide

Systemtic Name: N-[[1-[(6-chloranyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperidin-4-yl]methyl]-6-pyrrol-1-yl-pyridine-3-carboxamide Openeye Name: N-[[1-[(6-chloro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-4-piperidyl]methyl]-6-pyrrol-1-yl-pyridine-3-carboxamide CAS Name: N-[[1-[(6-chloro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-4-piperidinyl]methyl]-6-(1-pyrrolyl)-3-pyridinecarboxamide IUPAC Name: N-[[1-[(6-chloro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperidin-4-yl]methyl]-6-pyrrol-1-ylpyridine-3-carboxamide Traditional Name: N-[[1-[(6-chloro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-4-piperidyl]methyl]-6-pyrrol-1-yl-nicotinamide Formula: C25H27ClN4O3 MolecularWeight: 466.95988

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC(=O)C2=CN=C(C=C2)N3C=CC=C3)CC4COC5=C(O4)C=C(C=C5)Cl

Isomeric SMILES

C1CN(CCC1CNC(=O)C2=CN=C(C=C2)N3C=CC=C3)CC4COC5=C(O4)C=C(C=C5)Cl

InChI

InChI=1S/C25H27ClN4O3/c26-20-4-5-22-23(13-20)33-21(17-32-22)16-29-11-7-18(8-12-29)14-28-25(31)19-3-6-24(27-15-19)30-9-1-2-10-30/h1-6,9-10,13,15,18,21H,7-8,11-12,14,16-17H2,(H,28,31)