1-[(3-fluorophenyl)methyl]-4-(6-piperidin-4-ylpyrimidin-4-yl)-1,4-diazepane

Systemtic Name: 1-[(3-fluorophenyl)methyl]-4-(6-piperidin-4-ylpyrimidin-4-yl)-1,4-diazepane Openeye Name: 1-[(3-fluorophenyl)methyl]-4-[6-(4-piperidyl)pyrimidin-4-yl]-1,4-diazepane CAS Name: 1-[(3-fluorophenyl)methyl]-4-[6-(4-piperidinyl)-4-pyrimidinyl]-1,4-diazepane IUPAC Name: 1-[(3-fluorophenyl)methyl]-4-(6-piperidin-4-ylpyrimidin-4-yl)-1,4-diazepane Traditional Name: 1-(3-fluorobenzyl)-4-[6-(4-piperidyl)pyrimidin-4-yl]-1,4-diazepane Formula: C21H28FN5 MolecularWeight: 369.478923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC=NC(=C2)C3CCNCC3)CC4=CC(=CC=C4)F

Isomeric SMILES

C1CN(CCN(C1)C2=NC=NC(=C2)C3CCNCC3)CC4=CC(=CC=C4)F

InChI

InChI=1S/C21H28FN5/c22-19-4-1-3-17(13-19)15-26-9-2-10-27(12-11-26)21-14-20(24-16-25-21)18-5-7-23-8-6-18/h1,3-4,13-14,16,18,23H,2,5-12,15H2