N-[6-[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-3-methoxy-benzamide

Systemtic Name: N-[6-[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-3-methoxy-benzamide Openeye Name: N-[6-[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridyl]-3-methoxy-benzamide CAS Name: N-[6-[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-3-methoxybenzamide IUPAC Name: N-[6-[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-3-methoxybenzamide Traditional Name: N-[6-[4-(3-fluorobenzyl)-1,4-diazepan-1-yl]-3-pyridyl]-3-methoxy-benzamide Formula: C25H27FN4O2 MolecularWeight: 434.505883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)CC4=CC(=CC=C4)F

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)CC4=CC(=CC=C4)F

InChI

InChI=1S/C25H27FN4O2/c1-32-23-8-3-6-20(16-23)25(31)28-22-9-10-24(27-17-22)30-12-4-11-29(13-14-30)18-19-5-2-7-21(26)15-19/h2-3,5-10,15-17H,4,11-14,18H2,1H3,(H,28,31)