6-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-(1,4-diazepan-1-yl)-1H-pyrimidin-4-one

Systemtic Name: 6-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-(1,4-diazepan-1-yl)-1H-pyrimidin-4-one Openeye Name: 6-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-(1,4-diazepan-1-yl)-1H-pyrimidin-4-one CAS Name: 6-[[4-(2-chlorophenyl)-1-piperazinyl]methyl]-2-(1,4-diazepan-1-yl)-1H-pyrimidin-4-one IUPAC Name: 6-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-(1,4-diazepan-1-yl)-1H-pyrimidin-4-one Traditional Name: 6-[[4-(2-chlorophenyl)piperazino]methyl]-2-(1,4-diazepan-1-yl)-1H-pyrimidin-4-one Formula: C20H27ClN6O MolecularWeight: 402.92098

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=NC(=O)C=C(N2)CN3CCN(CC3)C4=CC=CC=C4Cl

Isomeric SMILES

C1CNCCN(C1)C2=NC(=O)C=C(N2)CN3CCN(CC3)C4=CC=CC=C4Cl

InChI

InChI=1S/C20H27ClN6O/c21-17-4-1-2-5-18(17)26-12-10-25(11-13-26)15-16-14-19(28)24-20(23-16)27-8-3-6-22-7-9-27/h1-2,4-5,14,22H,3,6-13,15H2,(H,23,24,28)