4-[4-[(4-fluorophenyl)-pyridin-4-yl-methyl]-1,4-diazepan-1-yl]-3-(phenylcarbamoylamino)benzamide

Systemtic Name: 4-[4-[(4-fluorophenyl)-pyridin-4-yl-methyl]-1,4-diazepan-1-yl]-3-(phenylcarbamoylamino)benzamide Openeye Name: 4-[4-[(4-fluorophenyl)-(4-pyridyl)methyl]-1,4-diazepan-1-yl]-3-(phenylcarbamoylamino)benzamide CAS Name: 3-[[anilino(oxo)methyl]amino]-4-[4-[(4-fluorophenyl)-pyridin-4-ylmethyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: 4-[4-[(4-fluorophenyl)-pyridin-4-ylmethyl]-1,4-diazepan-1-yl]-3-(phenylcarbamoylamino)benzamide Traditional Name: 4-[4-[(4-fluorophenyl)-(4-pyridyl)methyl]-1,4-diazepan-1-yl]-3-(phenylcarbamoylamino)benzamide Formula: C31H31FN6O2 MolecularWeight: 538.615243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(C2=CC=C(C=C2)F)C3=CC=NC=C3)C4=C(C=C(C=C4)C(=O)N)NC(=O)NC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(C2=CC=C(C=C2)F)C3=CC=NC=C3)C4=C(C=C(C=C4)C(=O)N)NC(=O)NC5=CC=CC=C5

InChI

InChI=1S/C31H31FN6O2/c32-25-10-7-22(8-11-25)29(23-13-15-34-16-14-23)38-18-4-17-37(19-20-38)28-12-9-24(30(33)39)21-27(28)36-31(40)35-26-5-2-1-3-6-26/h1-3,5-16,21,29H,4,17-20H2,(H2,33,39)(H2,35,36,40)