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

Systemtic Name: N-[6-[4-[(4-dimethylaminophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-4-fluoranyl-benzamide Openeye Name: N-[6-[4-[(4-dimethylaminophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridyl]-4-fluoro-benzamide CAS Name: N-[6-[4-[(4-dimethylaminophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-4-fluorobenzamide IUPAC Name: N-[6-[4-[(4-dimethylaminophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-4-fluorobenzamide Traditional Name: N-[6-[4-[4-(dimethylamino)benzyl]-1,4-diazepan-1-yl]-3-pyridyl]-4-fluoro-benzamide Formula: C26H30FN5O MolecularWeight: 447.547703

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN2CCCN(CC2)C3=NC=C(C=C3)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN2CCCN(CC2)C3=NC=C(C=C3)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H30FN5O/c1-30(2)24-11-4-20(5-12-24)19-31-14-3-15-32(17-16-31)25-13-10-23(18-28-25)29-26(33)21-6-8-22(27)9-7-21/h4-13,18H,3,14-17,19H2,1-2H3,(H,29,33)