1-[5-bromanyl-2-oxidanylidene-1-[(2-pyridin-3-ylpiperidin-1-yl)methyl]indol-3-ylidene]-3-pyridin-4-yl-urea

Systemtic Name: 1-[5-bromanyl-2-oxidanylidene-1-[(2-pyridin-3-ylpiperidin-1-yl)methyl]indol-3-ylidene]-3-pyridin-4-yl-urea Openeye Name: 1-[5-bromo-2-oxo-1-[[2-(3-pyridyl)-1-piperidyl]methyl]indolin-3-ylidene]-3-(4-pyridyl)urea CAS Name: 1-[5-bromo-2-oxo-1-[[2-(3-pyridinyl)-1-piperidinyl]methyl]-3-indolylidene]-3-pyridin-4-ylurea IUPAC Name: 1-[5-bromo-2-oxo-1-[(2-pyridin-3-ylpiperidin-1-yl)methyl]indol-3-ylidene]-3-pyridin-4-ylurea Traditional Name: 1-[5-bromo-2-keto-1-[[2-(3-pyridyl)piperidino]methyl]indolin-3-ylidene]-3-(4-pyridyl)urea Formula: C25H23BrN6O2 MolecularWeight: 519.39312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=CN=CC=C2)CN3C4=C(C=C(C=C4)Br)C(=NC(=O)NC5=CC=NC=C5)C3=O

Isomeric SMILES

C1CCN(C(C1)C2=CN=CC=C2)CN3C4=C(C=C(C=C4)Br)C(=NC(=O)NC5=CC=NC=C5)C3=O

InChI

InChI=1S/C25H23BrN6O2/c26-18-6-7-22-20(14-18)23(30-25(34)29-19-8-11-27-12-9-19)24(33)32(22)16-31-13-2-1-5-21(31)17-4-3-10-28-15-17/h3-4,6-12,14-15,21H,1-2,5,13,16H2,(H,27,29,34)