2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-6-(piperidin-1-ylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-6-(piperidin-1-ylmethyl)-1H-pyrimidin-4-one Openeye Name: 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-6-(1-piperidylmethyl)-1H-pyrimidin-4-one CAS Name: 2-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-6-(1-piperidinylmethyl)-1H-pyrimidin-4-one IUPAC Name: 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-6-(piperidin-1-ylmethyl)-1H-pyrimidin-4-one Traditional Name: 2-[4-(3-chlorobenzyl)piperazino]-6-(piperidinomethyl)-1H-pyrimidin-4-one Formula: C21H28ClN5O MolecularWeight: 401.93292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=O)N=C(N2)N3CCN(CC3)CC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CCN(CC1)CC2=CC(=O)N=C(N2)N3CCN(CC3)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H28ClN5O/c22-18-6-4-5-17(13-18)15-26-9-11-27(12-10-26)21-23-19(14-20(28)24-21)16-25-7-2-1-3-8-25/h4-6,13-14H,1-3,7-12,15-16H2,(H,23,24,28)