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

Systemtic Name: 2-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]-6-(piperidin-1-ylmethyl)-1H-pyrimidin-4-one Openeye Name: 2-[4-(2-chlorobenzoyl)piperazin-1-yl]-6-(1-piperidylmethyl)-1H-pyrimidin-4-one CAS Name: 2-[4-[(2-chlorophenyl)-oxomethyl]-1-piperazinyl]-6-(1-piperidinylmethyl)-1H-pyrimidin-4-one IUPAC Name: 2-[4-(2-chlorobenzoyl)piperazin-1-yl]-6-(piperidin-1-ylmethyl)-1H-pyrimidin-4-one Traditional Name: 2-[4-(2-chlorobenzoyl)piperazino]-6-(piperidinomethyl)-1H-pyrimidin-4-one Formula: C21H26ClN5O2 MolecularWeight: 415.91644

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=O)N=C(N2)N3CCN(CC3)C(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1CCN(CC1)CC2=CC(=O)N=C(N2)N3CCN(CC3)C(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H26ClN5O2/c22-18-7-3-2-6-17(18)20(29)26-10-12-27(13-11-26)21-23-16(14-19(28)24-21)15-25-8-4-1-5-9-25/h2-3,6-7,14H,1,4-5,8-13,15H2,(H,23,24,28)