1-(4-chlorophenyl)-4-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(4-chlorophenyl)-4-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]butane-1,4-dione Openeye Name: 1-(4-chlorophenyl)-4-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-(4-chlorophenyl)-4-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(4-chlorophenyl)-4-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]butane-1,4-dione Traditional Name: 1-(4-chlorophenyl)-4-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]butane-1,4-dione Formula: C22H26ClN5O2 MolecularWeight: 427.92714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)CCC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)CCC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H26ClN5O2/c23-18-5-3-17(4-6-18)19(29)7-8-22(30)28-13-11-27(12-14-28)21-15-20(24-16-25-21)26-9-1-2-10-26/h3-6,15-16H,1-2,7-14H2