1-[6-[4-(2-fluorophenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]-3-propan-2-yl-urea

Systemtic Name: 1-[6-[4-(2-fluorophenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]-3-propan-2-yl-urea Openeye Name: 1-[6-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]-3-isopropyl-urea CAS Name: 1-[6-[4-[(2-fluorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-3-pyridinyl]-3-propan-2-ylurea IUPAC Name: 1-[6-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl]-3-propan-2-ylurea Traditional Name: 1-[6-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]-3-isopropyl-urea Formula: C21H26FN5O2 MolecularWeight: 399.461843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=CN=C(C=C1)N2CCCN(CC2)C(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)NC(=O)NC1=CN=C(C=C1)N2CCCN(CC2)C(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H26FN5O2/c1-15(2)24-21(29)25-16-8-9-19(23-14-16)26-10-5-11-27(13-12-26)20(28)17-6-3-4-7-18(17)22/h3-4,6-9,14-15H,5,10-13H2,1-2H3,(H2,24,25,29)