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

Systemtic Name: 4-(azepan-1-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-[(4-chlorophenyl)methyl]-3-piperidyl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-[(4-chlorophenyl)methyl]-3-piperidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[1-(4-chlorobenzyl)-3-piperidyl]amine Formula: C22H30ClN5 MolecularWeight: 399.9601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30ClN5/c23-19-9-7-18(8-10-19)16-27-13-5-6-20(17-27)25-22-24-12-11-21(26-22)28-14-3-1-2-4-15-28/h7-12,20H,1-6,13-17H2,(H,24,25,26)