3-(4-methoxyphenyl)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(4-methoxyphenyl)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Openeye Name: 3-(4-methoxyphenyl)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one CAS Name: 3-(4-methoxyphenyl)-1-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-methoxyphenyl)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Traditional Name: 3-(4-methoxyphenyl)-1-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]propan-1-one Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4

InChI

InChI=1S/C22H29N5O2/c1-29-19-7-4-18(5-8-19)6-9-22(28)27-14-12-26(13-15-27)21-16-20(23-17-24-21)25-10-2-3-11-25/h4-5,7-8,16-17H,2-3,6,9-15H2,1H3