N-[6-[4-(furan-3-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide

Systemtic Name: N-[6-[4-(furan-3-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Openeye Name: N-[6-[4-(3-furylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide CAS Name: N-[6-[4-(3-furanylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]benzamide IUPAC Name: N-[6-[4-(furan-3-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Traditional Name: N-[6-[4-(3-furfuryl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide Formula: C22H24N4O2 MolecularWeight: 376.45156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC=C(C=C2)NC(=O)C3=CC=CC=C3)CC4=COC=C4

Isomeric SMILES

C1CN(CCN(C1)C2=NC=C(C=C2)NC(=O)C3=CC=CC=C3)CC4=COC=C4

InChI

InChI=1S/C22H24N4O2/c27-22(19-5-2-1-3-6-19)24-20-7-8-21(23-15-20)26-11-4-10-25(12-13-26)16-18-9-14-28-17-18/h1-3,5-9,14-15,17H,4,10-13,16H2,(H,24,27)