4-(azepan-1-yl)-N-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-N-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-[(3-fluorophenyl)methyl]-3-piperidyl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-[(3-fluorophenyl)methyl]-3-piperidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[1-(3-fluorobenzyl)-3-piperidyl]amine Formula: C22H30FN5 MolecularWeight: 383.505503

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCCN(C3)CC4=CC(=CC=C4)F

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCCN(C3)CC4=CC(=CC=C4)F

InChI

InChI=1S/C22H30FN5/c23-19-8-5-7-18(15-19)16-27-12-6-9-20(17-27)25-22-24-11-10-21(26-22)28-13-3-1-2-4-14-28/h5,7-8,10-11,15,20H,1-4,6,9,12-14,16-17H2,(H,24,25,26)