N-[2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,4-diazepan-1-yl]ethyl]pyridine-3-carboxamide

Systemtic Name: N-[2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,4-diazepan-1-yl]ethyl]pyridine-3-carboxamide Openeye Name: N-[2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,4-diazepan-1-yl]ethyl]pyridine-3-carboxamide CAS Name: N-[2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,4-diazepan-1-yl]ethyl]-3-pyridinecarboxamide IUPAC Name: N-[2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,4-diazepan-1-yl]ethyl]pyridine-3-carboxamide Traditional Name: N-[2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,4-diazepan-1-yl]ethyl]nicotinamide Formula: C22H28N4O3 MolecularWeight: 396.48272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC2COC3=CC=CC=C3O2)CCNC(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCN(C1)CC2COC3=CC=CC=C3O2)CCNC(=O)C4=CN=CC=C4

InChI

InChI=1S/C22H28N4O3/c27-22(18-5-3-8-23-15-18)24-9-12-25-10-4-11-26(14-13-25)16-19-17-28-20-6-1-2-7-21(20)29-19/h1-3,5-8,15,19H,4,9-14,16-17H2,(H,24,27)