N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-3-(phenoxymethyl)furan-2-carboxamide

Systemtic Name: N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-3-(phenoxymethyl)furan-2-carboxamide Openeye Name: N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]-3-(phenoxymethyl)furan-2-carboxamide CAS Name: N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-3-(phenoxymethyl)-2-furancarboxamide IUPAC Name: N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-3-(phenoxymethyl)furan-2-carboxamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-3-(phenoxymethyl)-2-furamide Formula: C21H20N4O4 MolecularWeight: 392.4079

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C3=C(C=CO3)COC4=CC=CC=C4

Isomeric SMILES

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C3=C(C=CO3)COC4=CC=CC=C4

InChI

InChI=1S/C21H20N4O4/c26-19-13-25(10-9-22-19)18-7-6-16(12-23-18)24-21(27)20-15(8-11-28-20)14-29-17-4-2-1-3-5-17/h1-8,11-12H,9-10,13-14H2,(H,22,26)(H,24,27)