4-phenyl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-phenyl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]butan-1-one Openeye Name: 4-phenyl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]butan-1-one CAS Name: 4-phenyl-1-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]-1-butanone IUPAC Name: 4-phenyl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]butan-1-one Traditional Name: 4-phenyl-1-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]butan-1-one Formula: C22H29N5O MolecularWeight: 379.49856

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)CCCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C22H29N5O/c28-22(10-6-9-19-7-2-1-3-8-19)27-15-13-26(14-16-27)21-17-20(23-18-24-21)25-11-4-5-12-25/h1-3,7-8,17-18H,4-6,9-16H2