2-(3-chloranylphenoxy)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(3-chloranylphenoxy)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Openeye Name: 2-(3-chlorophenoxy)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one CAS Name: 2-(3-chlorophenoxy)-1-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-(3-chlorophenoxy)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Traditional Name: 2-(3-chlorophenoxy)-1-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]propan-1-one Formula: C21H26ClN5O2 MolecularWeight: 415.91644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=NC=NC(=C2)N3CCCC3)OC4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=NC=NC(=C2)N3CCCC3)OC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H26ClN5O2/c1-16(29-18-6-4-5-17(22)13-18)21(28)27-11-9-26(10-12-27)20-14-19(23-15-24-20)25-7-2-3-8-25/h4-6,13-16H,2-3,7-12H2,1H3