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

Systemtic Name: 4-(azepan-1-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-[(4-chlorophenyl)methyl]-4-piperidyl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-[(4-chlorophenyl)methyl]-4-piperidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[1-(4-chlorobenzyl)-4-piperidyl]amine Formula: C22H30ClN5 MolecularWeight: 399.9601

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCN(CC3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCN(CC3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H30ClN5/c23-19-7-5-18(6-8-19)17-27-15-10-20(11-16-27)25-22-24-12-9-21(26-22)28-13-3-1-2-4-14-28/h5-9,12,20H,1-4,10-11,13-17H2,(H,24,25,26)